General Information of the Compound
| Compound ID |
CP0158318
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| Compound Name |
4-(2-chloro-4-methylphenyl)-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 |
C34H45ClN6O2
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| Molecular Weight |
605.227
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| Canonical SMILES |
Cc1ccc(C2CCN(CC2)C(=O)N[C@H](Cc2cc(C)c3[nH]ncc3c2)C(=O)N2CCC(CC2)N2CCCCC2)c(Cl)c1
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| InChI |
InChI=1S/C34H45ClN6O2/c1-23-6-7-29(30(35)18-23)26-8-14-41(15-9-26)34(43)37-31(21-25-19-24(2)32-27(20-25)22-36-38-32)33(42)40-16-10-28(11-17-40)39-12-4-3-5-13-39/h6-7,18-20,22,26,28,31H,3-5,8-17,21H2,1-2H3,(H,36,38)(H,37,43)/t31-/m1/s1
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| InChIKey |
UQLOLQPXCFNBCX-WJOKGBTCSA-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