Emzadirib
propan-2-yl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
Molecular Identity
Emzadirib
propan-2-yl N-[3-(tert-butylsulfamoyl)-4-[2-[4-(propan-2-yloxycarbonylamino)cyclohexyl]-1,3-thiazol-5-yl]phenyl]carbamate
PubChem CID: 137542570
2D Structure
Properties
C27H40N4O6S2
Molecular Formula
580.80
Molecular Weight
g/mol
580.2389
Exact Mass
Da
4.8
XLogP
Drug-like (Lipinski: < 5)
172
TPSA
May have limited oral absorption
3
H-Bond Donors
9
H-Bond Acceptors
926
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)OC(=O)NC1CCC(CC1)C2=NC=C(S2)C3=C(C=C(C=C3)NC(=O)OC(C)C)S(=O)(=O)NC(C)(C)CIsomeric SMILES
SMILES: CC(C)OC(=O)NC1CCC(CC1)C2=NC=C(S2)C3=C(C=C(C=C3)NC(=O)OC(C)C)S(=O)(=O)NC(C)(C)CSynonyms(20)
Emzadirib2301085-04-9RAD51-IN-2B7AM3X83ZOUNII-B7AM3X83ZOCYT0851CYT-0851Emzadirib (USAN)EMZADIRIB [USAN]Carbamic acid, N-(3-(((1,1-dimethylethyl)amino)sulfonyl)-4-(2-(trans-4-(((1-methylethoxy)carbonyl)amino)cyclohexyl)-5-thiazolyl)phenyl)-, 1-methylethyl esterIsopropyl ((1r,4r)-4-(5-(2-(N-(tert-butyl)sulfamoyl)-4-((isopropoxycarbonyl)amino)phenyl)thiazol-2-yl)cyclohexyl)carbamateemzadirib [INN]Carbamic acid, N-[3-[[(1,1-dimethylethyl)amino]sulfonyl]-4-[2-[trans-4-[[(1-methylethoxy)carbonyl]amino]cyclohexyl]-5-thiazolyl]phenyl]-, 1-methylethyl esterEmzadirib [WHO-DD]Cyt 0851
Data from PubChem (NCBI)
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