General Information of the Compound
Compound ID |
CP0459844
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Compound Name |
4-(2,3-dichlorophenyl)-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperazine-1-carboxamide
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Structure |
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Formula |
C32H41Cl2N7O2
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Molecular Weight |
626.633
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Canonical SMILES |
Cc1cc(C[C@@H](NC(=O)N2CCN(CC2)c2cccc(Cl)c2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
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InChI |
InChI=1S/C32H41Cl2N7O2/c1-22-18-23(19-24-21-35-37-30(22)24)20-27(31(42)40-12-8-25(9-13-40)38-10-3-2-4-11-38)36-32(43)41-16-14-39(15-17-41)28-7-5-6-26(33)29(28)34/h5-7,18-19,21,25,27H,2-4,8-17,20H2,1H3,(H,35,37)(H,36,43)/t27-/m1/s1
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InChIKey |
VXGARKPAVLJQQY-HHHXNRCGSA-N
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Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound