General Information of the Compound
| Compound ID |
CP0497051
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| Compound Name |
3-(3-Cyano-phenyl)-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-1-methyl-urea
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| Structure |
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| Formula |
C29H32N4O
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| Molecular Weight |
452.602
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| Canonical SMILES |
CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1cccc(c1)C#N
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| InChI |
InChI=1S/C29H32N4O/c1-32(29(34)31-26-14-8-9-23(21-26)22-30)27-15-18-33(19-16-27)20-17-28(24-10-4-2-5-11-24)25-12-6-3-7-13-25/h2-14,21,27-28H,15-20H2,1H3,(H,31,34)
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| InChIKey |
BBKRNDDRYCWYAA-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