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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H17Cl2N5O2
Molecular Weight 478.33
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BR-101801

SMILES

C[C@H](NC1=C2C(=O)C=CN=C2NC=N1)C3=C(Cl)C4=CC=CC(Cl)=C4C(=O)N3C5=CC=CC=C5

InChI

InChIKey=HIXUFHUKIOTXLJ-ZDUSSCGKSA-N
InChI=1S/C24H17Cl2N5O2/c1-13(30-23-19-17(32)10-11-27-22(19)28-12-29-23)21-20(26)15-8-5-9-16(25)18(15)24(33)31(21)14-6-3-2-4-7-14/h2-13H,1H3,(H2,27,28,29,30,32)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H17Cl2N5O2
Molecular Weight 478.33
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 14:53:52 UTC 2023
Edited
by admin
on Sat Dec 16 14:53:52 UTC 2023
Record UNII
FJ5CTS1VNJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BR-101801
Code English
BR101801
Code English
4-[[(1S)-1-(4, 8-Dichloro-1-oxo-2-phenyl-3-isoquinolyl) ethyl] amino]-8H- pyrido[2,3-d] pyrimidin-5-one]
Common Name English
Classification Tree Code System Code
FDA ORPHAN DRUG 904122
Created by admin on Sat Dec 16 14:53:52 UTC 2023 , Edited by admin on Sat Dec 16 14:53:52 UTC 2023
Code System Code Type Description
CAS
2055765-77-8
Created by admin on Sat Dec 16 14:53:52 UTC 2023 , Edited by admin on Sat Dec 16 14:53:52 UTC 2023
PRIMARY
PUBCHEM
134427646
Created by admin on Sat Dec 16 14:53:52 UTC 2023 , Edited by admin on Sat Dec 16 14:53:52 UTC 2023
PRIMARY
FDA UNII
FJ5CTS1VNJ
Created by admin on Sat Dec 16 14:53:52 UTC 2023 , Edited by admin on Sat Dec 16 14:53:52 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY