General Information of the Compound
| Compound ID |
CP0492599
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| Compound Name |
1-(3,5-Dichloro-phenyl)-3-[1-methanesulfonyl-4-(4-pyridin-3-yl-phenyl)-piperidin-4-ylmethyl]-urea
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| Structure |
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| Formula |
C25H26Cl2N4O3S
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| Molecular Weight |
533.481
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccnc1
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| InChI |
InChI=1S/C25H26Cl2N4O3S/c1-35(33,34)31-11-8-25(9-12-31,17-29-24(32)30-23-14-21(26)13-22(27)15-23)20-6-4-18(5-7-20)19-3-2-10-28-16-19/h2-7,10,13-16H,8-9,11-12,17H2,1H3,(H2,29,30,32)
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| InChIKey |
QKNZEPNKRCJQJI-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