General Information of the Compound
| Compound ID |
CP0500733
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| Compound Name |
1-(4-Chloro-3-trifluoromethyl-phenyl)-3-[4-(3'-cyano-biphenyl-4-yl)-1-methyl-piperidin-4-ylmethyl]-urea
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| Structure |
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| Formula |
C28H26ClF3N4O
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| Molecular Weight |
526.99
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| Canonical SMILES |
CN1CCC(CNC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C28H26ClF3N4O/c1-36-13-11-27(12-14-36,22-7-5-20(6-8-22)21-4-2-3-19(15-21)17-33)18-34-26(37)35-23-9-10-25(29)24(16-23)28(30,31)32/h2-10,15-16H,11-14,18H2,1H3,(H2,34,35,37)
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| InChIKey |
MHGUTVKHXBYUDR-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