SC-0191

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H32N8O2
Molecular Weight	512.6061
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CCN(CC1)C2=CC=C(NC3=NC=C4C(=O)N5CC=CCC[C@@](C)(O)C6=NC(=CC=C6)N5C4=N3)C=C2

InChI

InChIKey=KSZKLDQYICQTLL-WHQCRVIKSA-N

InChI=1S/C28H32N8O2/c1-28(38)13-4-3-5-14-35-26(37)22-19-29-27(32-25(22)36(35)24-8-6-7-23(28)31-24)30-20-9-11-21(12-10-20)34-17-15-33(2)16-18-34/h3,5-12,19,38H,4,13-18H2,1-2H3,(H,29,30,32)/b5-3-/t28-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H32N8O2
Molecular Weight	512.6061
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 19:33:44 GMT 2023` Edited by `admin` on `Sat Dec 16 19:33:44 GMT 2023`
Record UNII	HRE3327KCX
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SC-0191

Code

English

13,17-Nitrilo-5H,17H-pyrimido[4′,5′:3,4]pyrazolo[1,2-a][1,2]diazacyclotridecin-5-one, 7,10,11,12-tetrahydro-12-hydroxy-12-methyl-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-, (8Z,12R)-

Systematic Name

English

SC0191

Code

English

Code System Code Type Description

FDA UNII

HRE3327KCX

Created by admin on Sat Dec 16 19:33:44 GMT 2023 , Edited by admin on Sat Dec 16 19:33:44 GMT 2023

PRIMARY

PUBCHEM

155132201

Created by admin on Sat Dec 16 19:33:44 GMT 2023 , Edited by admin on Sat Dec 16 19:33:44 GMT 2023

PRIMARY

CAS

2510782-14-4

Created by admin on Sat Dec 16 19:33:44 GMT 2023 , Edited by admin on Sat Dec 16 19:33:44 GMT 2023

PRIMARY

Related Record Type Details


					V6HYU3TM3V

WEE1-LIKE PROTEIN KINASE

TARGET -> INHIBITOR

Interaction Type:

PRECLINICAL

Qualification:

IC50

Related Record Type Details


					HRE3327KCX

SC-0191

ACTIVE MOIETY

Amount: