General Information of the Compound
| Compound ID |
CP0296037
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| Compound Name |
4-(2,4-dichlorophenyl)-N-[(2R)-3-(7-methyl-1H-indazol-5-yl)-1-oxo-1-(4-piperidin-1-ylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
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| Structure |
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| Formula |
C33H42Cl2N6O2
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| Molecular Weight |
625.645
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| Canonical SMILES |
Cc1cc(C[C@@H](NC(=O)N2CCC(CC2)c2ccc(Cl)cc2Cl)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C33H42Cl2N6O2/c1-22-17-23(18-25-21-36-38-31(22)25)19-30(32(42)40-15-9-27(10-16-40)39-11-3-2-4-12-39)37-33(43)41-13-7-24(8-14-41)28-6-5-26(34)20-29(28)35/h5-6,17-18,20-21,24,27,30H,2-4,7-16,19H2,1H3,(H,36,38)(H,37,43)/t30-/m1/s1
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| InChIKey |
VBQBLAJKPJTHLI-SSEXGKCCSA-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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Map of Molecular Bioactivity Related to the Compound
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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