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

Details

Stereochemistry ABSOLUTE
Molecular Formula C26H32ClN5O4
Molecular Weight 514.016
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MLN-0415

SMILES

C[C@H]1CN(C[C@@H](C)O1)C(=O)CN2CC(C)(C)OC[C@H]2C(=O)NC3=C4NC5=C(C=CN=C5)C4=CC(Cl)=C3

InChI

InChIKey=BQBAVNBXWBYXIF-DMPWYTOCSA-N
InChI=1S/C26H32ClN5O4/c1-15-10-31(11-16(2)36-15)23(33)12-32-14-26(3,4)35-13-22(32)25(34)30-20-8-17(27)7-19-18-5-6-28-9-21(18)29-24(19)20/h5-9,15-16,22,29H,10-14H2,1-4H3,(H,30,34)/t15-,16+,22-/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H32ClN5O4
Molecular Weight 514.016
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:28:39 UTC 2023
Edited
by admin
on Fri Dec 15 15:28:39 UTC 2023
Record UNII
P6CWN9ULN1
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MLN-0415
Common Name English
3-MORPHOLINECARBOXAMIDE, N-(6-CHLORO-9H-PYRIDO(3,4-B)INDOL-8-YL)-4-(2-((2R,6S)-2,6-DIMETHYL-4-MORPHOLINYL)-2-OXOETHYL)-6,6-DIMETHYL-, (3S)-
Systematic Name English
(3S)-N-(6-CHLORO-9H-.BETA.-CARBOLIN-8-YL)-4-(2-((2R,6S)-2,6-DIMETHYLMORPHOLIN-4-YL)-2-OXOETHYL)-6,6-DIMETHYLMORPHOLINE-3-CARBOXAMIDE
Systematic Name English
Code System Code Type Description
CAS
1220981-98-5
Created by admin on Fri Dec 15 15:28:39 UTC 2023 , Edited by admin on Fri Dec 15 15:28:39 UTC 2023
ALTERNATIVE
CAS
1147862-78-9
Created by admin on Fri Dec 15 15:28:39 UTC 2023 , Edited by admin on Fri Dec 15 15:28:39 UTC 2023
PRIMARY
FDA UNII
P6CWN9ULN1
Created by admin on Fri Dec 15 15:28:39 UTC 2023 , Edited by admin on Fri Dec 15 15:28:39 UTC 2023
PRIMARY
PUBCHEM
11642049
Created by admin on Fri Dec 15 15:28:39 UTC 2023 , Edited by admin on Fri Dec 15 15:28:39 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY