General Information of the Compound
| Compound ID |
CP0525141
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| Compound Name |
N-(3,4-dichlorophenyl)-N-[3-[4-[[4-(dimethylcarbamoyl)phenyl]methyl]piperidin-1-yl]propyl]-1-methylsulfonylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C31H42Cl2N4O4S
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| Molecular Weight |
637.674
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| Canonical SMILES |
CN(C)C(=O)c1ccc(CC2CCN(CCCN(C(=O)C3CCN(CC3)S(C)(=O)=O)c3ccc(Cl)c(Cl)c3)CC2)cc1
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| InChI |
InChI=1S/C31H42Cl2N4O4S/c1-34(2)30(38)25-7-5-23(6-8-25)21-24-11-17-35(18-12-24)15-4-16-37(27-9-10-28(32)29(33)22-27)31(39)26-13-19-36(20-14-26)42(3,40)41/h5-10,22,24,26H,4,11-21H2,1-3H3
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| InChIKey |
SEVIDRCPHNOAJR-UHFFFAOYSA-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