Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C38H37F3O8S |
| Molecular Weight | 710.756 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 2 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCC1=C(O)C(=CC=C1OCCCC\C=C/C=C/[C@H](SC2=CC=C3C(=O)C=C(OC3=C2)C(O)=O)[C@H](O)C4=CC=CC(=C4)C(F)(F)F)C(C)=O
InChI
InChIKey=IXJCHVMUTFCRBH-SDUHDBOFSA-N
InChI=1S/C38H37F3O8S/c1-3-11-29-31(18-17-27(23(2)42)36(29)45)48-19-9-7-5-4-6-8-14-34(35(44)24-12-10-13-25(20-24)38(39,40)41)50-26-15-16-28-30(43)22-33(37(46)47)49-32(28)21-26/h4,6,8,10,12-18,20-22,34-35,44-45H,3,5,7,9,11,19H2,1-2H3,(H,46,47)/b6-4-,14-8+/t34-,35+/m0/s1
| Molecular Formula | C38H37F3O8S |
| Molecular Weight | 710.756 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 2 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:39:55 UTC 2023
by
admin
on
Fri Dec 15 15:39:55 UTC 2023
|
| Record UNII |
L1E28E0J8F
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Official Name | English | ||
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Common Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C29712
Created by
admin on Fri Dec 15 15:39:55 UTC 2023 , Edited by admin on Fri Dec 15 15:39:55 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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7130
Created by
admin on Fri Dec 15 15:39:55 UTC 2023 , Edited by admin on Fri Dec 15 15:39:55 UTC 2023
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PRIMARY | |||
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100000083373
Created by
admin on Fri Dec 15 15:39:55 UTC 2023 , Edited by admin on Fri Dec 15 15:39:55 UTC 2023
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PRIMARY | |||
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C067425
Created by
admin on Fri Dec 15 15:39:55 UTC 2023 , Edited by admin on Fri Dec 15 15:39:55 UTC 2023
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PRIMARY | |||
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151581-24-7
Created by
admin on Fri Dec 15 15:39:55 UTC 2023 , Edited by admin on Fri Dec 15 15:39:55 UTC 2023
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PRIMARY | |||
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SUB08292MIG
Created by
admin on Fri Dec 15 15:39:55 UTC 2023 , Edited by admin on Fri Dec 15 15:39:55 UTC 2023
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PRIMARY | |||
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C77981
Created by
admin on Fri Dec 15 15:39:55 UTC 2023 , Edited by admin on Fri Dec 15 15:39:55 UTC 2023
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PRIMARY | |||
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6913104
Created by
admin on Fri Dec 15 15:39:55 UTC 2023 , Edited by admin on Fri Dec 15 15:39:55 UTC 2023
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PRIMARY | |||
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L1E28E0J8F
Created by
admin on Fri Dec 15 15:39:55 UTC 2023 , Edited by admin on Fri Dec 15 15:39:55 UTC 2023
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PRIMARY | |||
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CHEMBL1206833
Created by
admin on Fri Dec 15 15:39:55 UTC 2023 , Edited by admin on Fri Dec 15 15:39:55 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT | |||
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TARGET -> INHIBITOR |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
