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Details

Stereochemistry ACHIRAL
Molecular Formula C34H34N8O2.ClH
Molecular Weight 623.147
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MLN-944 MONOHYDROCHLORIDE

SMILES

Cl.CC1=CC=CC2=NC3=CC=CC(C(=O)NCCNCCNCCNC(=O)C4=CC=CC5=NC6=CC=CC(C)=C6N=C45)=C3N=C12

InChI

InChIKey=ANLNZAZXYACLPL-UHFFFAOYSA-N
InChI=1S/C34H34N8O2.ClH/c1-21-7-3-11-25-29(21)41-31-23(9-5-13-27(31)39-25)33(43)37-19-17-35-15-16-36-18-20-38-34(44)24-10-6-14-28-32(24)42-30-22(2)8-4-12-26(30)40-28;/h3-14,35-36H,15-20H2,1-2H3,(H,37,43)(H,38,44);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C34H34N8O2
Molecular Weight 586.6862
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
Q38VYH69LB
Record Status Validated (UNII)
Record Version