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Details

Stereochemistry ACHIRAL
Molecular Formula C31H30N4O
Molecular Weight 474.5961
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ML-246

SMILES

O[C@H]1CC[C@@H](CC1)N2C=NC3=C(C(=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C2=N

InChI

InChIKey=WSMXAUJFLWRPNT-DIVCQZSQSA-N
InChI=1S/C31H30N4O/c32-30-28-27(23-12-6-2-7-13-23)29(24-14-8-3-9-15-24)34(20-22-10-4-1-5-11-22)31(28)33-21-35(30)25-16-18-26(36)19-17-25/h1-15,21,25-26,32,36H,16-20H2/t25-,26-

HIDE SMILES / InChI

Approval Year

Name Type Language
ML-246
Code English
TRANS-4-(4,7-DIHYDRO-4-IMINO-5,6-DIPHENYL-7-(PHENYLMETHYL)-3H-PYRROLO(2,3-D)PYRIMIDIN-3-YL)CYCLOHEXANOL
Systematic Name English
CYCLOHEXANOL, 4-(4,7-DIHYDRO-4-IMINO-5,6-DIPHENYL-7-(PHENYLMETHYL)-3H-PYRROLO(2,3-D)PYRIMIDIN-3-YL)-, TRANS-
Systematic Name English
METARRESTIN
Common Name English
Code System Code Type Description
FDA UNII
Q6A9F9DSX5
Created by admin on Sat Dec 16 15:11:38 GMT 2023 , Edited by admin on Sat Dec 16 15:11:38 GMT 2023
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NCI_THESAURUS
C168544
Created by admin on Sat Dec 16 15:11:38 GMT 2023 , Edited by admin on Sat Dec 16 15:11:38 GMT 2023
PRIMARY
CAS
1443414-10-5
Created by admin on Sat Dec 16 15:11:38 GMT 2023 , Edited by admin on Sat Dec 16 15:11:38 GMT 2023
PRIMARY