CP-654577

Details

Stereochemistry	ACHIRAL
Molecular Formula	C34H32N4O3
Molecular Weight	544.6429
Optical Activity	UNSPECIFIED
Defined Stereocenters	3 / 3
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(NC2=C3C=C(C=CC3=NC=N2)C4=CC=C(CN5C[C@H]6[C@H](CO)[C@H]6C5)C=C4)=CC=C1OC7=CC=CC=C7

InChI

InChIKey=WZZXMNBOPNKKSX-BKHFGAQXSA-N

InChI=1S/C34H32N4O3/c1-40-33-16-25(12-14-32(33)41-26-5-3-2-4-6-26)37-34-27-15-24(11-13-31(27)35-21-36-34)23-9-7-22(8-10-23)17-38-18-28-29(19-38)30(28)20-39/h2-16,21,28-30,39H,17-20H2,1H3,(H,35,36,37)/t28-,29+,30+

HIDE SMILES / InChI

Molecular Formula	C34H32N4O3
Molecular Weight	544.6429
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	3 / 3
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
The biological and biochemical effects of CP-654577, a selective erbB2 kinase inhibitor, on human breast cancer cells.	2003-08-01	12907618

Substance Class	Chemical Created by `admin` on `Mon Mar 31 22:05:13 GMT 2025` Edited by `admin` on `Mon Mar 31 22:05:13 GMT 2025`
Record UNII	W39547M0FP
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-AZABICYCLO(3.1.0)HEXANE-6-METHANOL, 3-((4-(4-((3-METHOXY-4-PHENOXYPHENYL)AMINO)-6-QUINAZOLINYL)PHENYL)METHYL)-, (1.ALPHA.,5.ALPHA.,6.ALPHA.)-

Preferred Name

English

CP-654577

Common Name

English

Code System Code Type Description

CAS

639087-64-2

Created by admin on Mon Mar 31 22:05:13 GMT 2025 , Edited by admin on Mon Mar 31 22:05:13 GMT 2025

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FDA UNII

W39547M0FP

Created by admin on Mon Mar 31 22:05:13 GMT 2025 , Edited by admin on Mon Mar 31 22:05:13 GMT 2025

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PUBCHEM

44586019

Created by admin on Mon Mar 31 22:05:13 GMT 2025 , Edited by admin on Mon Mar 31 22:05:13 GMT 2025

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Related Record Type Details


					W39547M0FP

CP-654577

ACTIVE MOIETY