TILPISERTIB

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H33ClN8O
Molecular Weight	593.121
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C=CC2=C(C=CC=C2[C@H](NC3=CC(Cl)=C4N=CC(C#N)=C(NCC(C)(C)C)C4=C3)C5=CN(N=N5)C67CC(C6)C7)C1=O

InChI

InChIKey=VFGSKBLZRDRHOI-ZAGPDIDGSA-N

InChI=1S/C33H33ClN8O/c1-32(2,3)18-37-28-20(15-35)16-36-29-25(28)10-21(11-26(29)34)38-30(27-17-42(40-39-27)33-12-19(13-33)14-33)23-6-5-7-24-22(23)8-9-41(4)31(24)43/h5-11,16-17,19,30,38H,12-14,18H2,1-4H3,(H,36,37)/t19?,30-,33?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C33H33ClN8O
Molecular Weight	593.121
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 14:21:33 UTC 2023` Edited by `admin` on `Sat Dec 16 14:21:33 UTC 2023`
Record UNII	A8Y5K4G762
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TILPISERTIB

Official Name

English

tilpisertib [INN]

Common Name

English

3-QUINOLINECARBONITRILE, 6-(((S)-(1-BICYCLO(1.1.1)PENT-1-YL-1H-1,2,3-TRIAZOL-4-YL)(1,2-DIHYDRO-2-METHYL-1-OXO-5-ISOQUINOLINYL)METHYL)AMINO)-8-CHLORO-4-((2,2-DIMETHYLPROPYL)AMINO)-

Systematic Name

English

Code System Code Type Description

NCI_THESAURUS

C175865