Rpt193
3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-6-methylpyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid
Molecular Identity
Rpt193
3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-6-methylpyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acid
PubChem CID: 139344142
2D Structure
Properties
C27H34Cl3N5O2
Molecular Formula
566.90
Molecular Weight
g/mol
565.1778
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
81.6
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
811
Complexity
SMILES
Canonical SMILES
SMILES: CC1=C(C(=NC(=N1)N2CC(C2)C3CCCN(C3)C4CC(C4)(C)C(=O)O)NC(C)C5=C(C=C(C=C5)Cl)Cl)ClIsomeric SMILES
SMILES: CC1=C(C(=NC(=N1)N2CC(C2)[C@H]3CCCN(C3)C4CC(C4)(C)C(=O)O)N[C@H](C)C5=C(C=C(C=C5)Cl)Cl)ClSynonyms(20)
RPT193RefChem:1098163Zelnecirnon2366152-15-83-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-6-methylpyrimidin-2-yl]azetidin-3-yl]piperidin-1-yl]-1-methylcyclobutane-1-carboxylic acidCyclobutanecarboxylic acid, 3-[(3R)-3-[1-[5-chloro-4-[[(1R)-1-(2,4-dichlorophenyl)ethyl]amino]-6-methyl-2-pyrimidinyl]-3-azetidinyl]-1-piperidinyl]-1-methyl-, trans-zelnecirnon [INN]RPT193; ZelnecirnonA1DAOQ0M1LOC2MMorb1686027CHEMBL5314496SCHEMBL21193871SCHEMBL21207415SCHEMBL31349165
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Rpt193
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