ACALISIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H16FN7O
Molecular Weight	401.3964
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@H](NC1=C2NC=NC2=NC=N1)C3=NC4=C(C=C(F)C=C4)C(=O)N3C5=CC=CC=C5

InChI

InChIKey=DOCINCLJNAXZQF-LBPRGKRZSA-N

InChI=1S/C21H16FN7O/c1-12(27-19-17-18(24-10-23-17)25-11-26-19)20-28-16-8-7-13(22)9-15(16)21(30)29(20)14-5-3-2-4-6-14/h2-12H,1H3,(H2,23,24,25,26,27)/t12-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H16FN7O
Molecular Weight	401.3964
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:31:50 UTC 2023` Edited by `admin` on `Sat Dec 16 10:31:50 UTC 2023`
Record UNII	OVW60IDW1D
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ACALISIB

Official Name

English

GS-9820

Code

English

6-FLUORO-3-PHENYL-2-((1S)-1-(7H-PURIN-6-YLAMINO)ETHYL)QUINAZOLIN-4(3H)-ONE

Systematic Name

English

acalisib [INN]

Common Name

English

GS9820

Code

English

CAL120

Code

English

Acalisib [WHO-DD]

Common Name

English

CAL-120

Code

English

Classification Tree Code System Code

NCI_THESAURUS

C129825