HENATINIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C25H29FN4O4
Molecular Weight	468.5206
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1=C(NC2=C1C(=O)N(C[C@H](O)CN3CCOCC3)CCC2)\C=C4/C(=O)NC5=C4C=C(F)C=C5

InChI

InChIKey=MCTXSDCWFQAGFS-UEXNTNOUSA-N

InChI=1S/C25H29FN4O4/c1-15-22(12-19-18-11-16(26)4-5-20(18)28-24(19)32)27-21-3-2-6-30(25(33)23(15)21)14-17(31)13-29-7-9-34-10-8-29/h4-5,11-12,17,27,31H,2-3,6-10,13-14H2,1H3,(H,28,32)/b19-12-/t17-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C25H29FN4O4
Molecular Weight	468.5206
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:09:26 UTC 2023` Edited by `admin` on `Sat Dec 16 07:09:26 UTC 2023`
Record UNII	TE20GB753F
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HENATINIB

Common Name

English

PYRROLO(3,2-C)AZEPIN-4(1H)-ONE, 2-((Z)-(5-FLUORO-1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)METHYL)-5,6,7,8-TETRAHYDRO-5-((2R)-2-HYDROXY-3-(4-MORPHOLINYL)PROPYL)-3-METHYL-

Systematic Name

English

Code System Code Type Description

ChEMBL

CHEMBL3545416