General Information of the Compound
| Compound ID |
CP0435461
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| Compound Name |
N-[3-[4-[(4-cyanophenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)-1-methylsulfonylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C29H36Cl2N4O3S
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| Molecular Weight |
591.605
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C#N)CC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C29H36Cl2N4O3S/c1-39(37,38)34-17-11-25(12-18-34)29(36)35(26-7-8-27(30)28(31)20-26)14-2-13-33-15-9-23(10-16-33)19-22-3-5-24(21-32)6-4-22/h3-8,20,23,25H,2,9-19H2,1H3
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| InChIKey |
JNOUIWYPSXNYSU-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