General Information of the Compound
| Compound ID |
CP0393297
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| Compound Name |
1-[4-(3'-Cyano-biphenyl-4-yl)-1-ethyl-piperidin-4-ylmethyl]-3-(3,5-dichloro-phenyl)-urea
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| Structure |
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| Formula |
C28H28Cl2N4O
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| Molecular Weight |
507.465
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| Canonical SMILES |
CCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C28H28Cl2N4O/c1-2-34-12-10-28(11-13-34,19-32-27(35)33-26-16-24(29)15-25(30)17-26)23-8-6-21(7-9-23)22-5-3-4-20(14-22)18-31/h3-9,14-17H,2,10-13,19H2,1H3,(H2,32,33,35)
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| InChIKey |
ZYMWGIPJDJBLDR-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