U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H30N6O
Molecular Weight 394.5132
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SAMURACICLIB

SMILES

CC(C)C1=C2N=C(NC[C@H]3CCNC[C@@H]3O)C=C(NCC4=CC=CC=C4)N2N=C1

InChI

InChIKey=YCVGLKWJKIKVBI-MJGOQNOKSA-N
InChI=1S/C22H30N6O/c1-15(2)18-13-26-28-21(25-11-16-6-4-3-5-7-16)10-20(27-22(18)28)24-12-17-8-9-23-14-19(17)29/h3-7,10,13,15,17,19,23,25,29H,8-9,11-12,14H2,1-2H3,(H,24,27)/t17-,19+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H30N6O
Molecular Weight 394.5132
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:05:27 GMT 2023
Edited
by admin
on Sat Dec 16 15:05:27 GMT 2023
Record UNII
46D4HS9ODA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SAMURACICLIB
INN  
Official Name English
ICEC0942
Code English
Samuraciclib [WHO-DD]
Common Name English
CT7001
Code English
CT-7001
Code English
ICEC-0942
Code English
3-PIPERIDINOL, 4-(((3-(1-METHYLETHYL)-7-((PHENYLMETHYL)AMINO)PYRAZOLO(1,5-A)PYRIMIDIN-5-YL)AMINO)METHYL)-, (3R,4R)-
Systematic Name English
samuraciclib [INN]
Common Name English
Code System Code Type Description
PUBCHEM
91844733
Created by admin on Sat Dec 16 15:05:28 GMT 2023 , Edited by admin on Sat Dec 16 15:05:28 GMT 2023
PRIMARY
CAS
1805833-75-3
Created by admin on Sat Dec 16 15:05:28 GMT 2023 , Edited by admin on Sat Dec 16 15:05:28 GMT 2023
PRIMARY
FDA UNII
46D4HS9ODA
Created by admin on Sat Dec 16 15:05:28 GMT 2023 , Edited by admin on Sat Dec 16 15:05:28 GMT 2023
PRIMARY
SMS_ID
300000023646
Created by admin on Sat Dec 16 15:05:28 GMT 2023 , Edited by admin on Sat Dec 16 15:05:28 GMT 2023
PRIMARY
INN
11332
Created by admin on Sat Dec 16 15:05:28 GMT 2023 , Edited by admin on Sat Dec 16 15:05:28 GMT 2023
PRIMARY
NCI_THESAURUS
C155652
Created by admin on Sat Dec 16 15:05:28 GMT 2023 , Edited by admin on Sat Dec 16 15:05:28 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY