Zelasudil
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide
Molecular Identity
Zelasudil
4-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide
PubChem CID: 155792249
2D Structure
Properties
C22H21F2N7O
Molecular Formula
437.40
Molecular Weight
g/mol
437.1776
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
101
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
658
Complexity
SMILES
Canonical SMILES
SMILES: CN1C(=NC(=N1)C2=CC=C(C=C2)C(=O)NCC(F)F)NC3=C(C4=C(C=C3)NN=C4)C5CC5Isomeric SMILES
SMILES: CN1C(=NC(=N1)C2=CC=C(C=C2)C(=O)NCC(F)F)NC3=C(C4=C(C=C3)NN=C4)C5CC5Synonyms(20)
Zelasudil2365193-22-0EEF2SY7GG24-[5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide4-(5-((4-cyclopropyl-1H-indazol-5-yl)amino)-1-methyl-1,2,4-triazol-3-yl)-N-(2,2-difluoroethyl)benzamideRefChem:1101127SCHEMBL229667134-(5-((4-Cyclopropyl-1H-indazol-5-yl)amino)-1-methyl-1H-1,2,4-triazol-3-yl)-N-(2,2-difluoroethyl)benzamide4-[5-[(4-Cyclopropyl-1H-indazol-5-yl)amino]-1-methyl-1H-1,2,4-triazol-3-yl]-N-(2,2-difluoroethyl)benzamide4-{5-[(4-cyclopropyl-1H-indazol-5-yl)amino]-1-methyl- 1H-1,2,4-triazol-3-yl}-N-(2,2-difluoroethyl)benzamideexampZelasudil?zelasudil [INN]orb1739815RXC007
Data from PubChem (NCBI)
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