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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H30N6O3
Molecular Weight 474.5548
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MTI-31

SMILES

CNC(=O)C1=CC(=CC=C1)C2=NC3=C(C=C2)C(=NC(=N3)N4CCOC[C@@H]4C)N5C6CCC5COC6

InChI

InChIKey=LVPBYQVQBZLDAU-DZIBYMRMSA-N
InChI=1S/C26H30N6O3/c1-16-13-34-11-10-31(16)26-29-23-21(24(30-26)32-19-6-7-20(32)15-35-14-19)8-9-22(28-23)17-4-3-5-18(12-17)25(33)27-2/h3-5,8-9,12,16,19-20H,6-7,10-11,13-15H2,1-2H3,(H,27,33)/t16-,19?,20?/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H30N6O3
Molecular Weight 474.5548
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 1 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:18:39 UTC 2023
Edited
by admin
on Sat Dec 16 15:18:39 UTC 2023
Record UNII
RM15YYQ1CI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MTI-31
Code English
LXI-15029
Code English
SCC-31
Code English
BENZAMIDE, N-METHYL-3-(2-((3S)-3-METHYL-4-MORPHOLINYL)-4-(3-OXA-8-AZABICYCLO(3.2.1)OCT-8-YL)PYRIDO(2,3-D)PYRIMIDIN-7-YL)-
Systematic Name English
MTORC 1/2 INHIBITOR LXI-15029
Common Name English
Code System Code Type Description
CAS
1567915-38-1
Created by admin on Sat Dec 16 15:18:39 UTC 2023 , Edited by admin on Sat Dec 16 15:18:39 UTC 2023
PRIMARY
FDA UNII
RM15YYQ1CI
Created by admin on Sat Dec 16 15:18:39 UTC 2023 , Edited by admin on Sat Dec 16 15:18:39 UTC 2023
PRIMARY
PUBCHEM
118591386
Created by admin on Sat Dec 16 15:18:39 UTC 2023 , Edited by admin on Sat Dec 16 15:18:39 UTC 2023
PRIMARY
NCI_THESAURUS
C148528
Created by admin on Sat Dec 16 15:18:39 UTC 2023 , Edited by admin on Sat Dec 16 15:18:39 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY