General Information of the Compound
| Compound ID |
CP0497383
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| Compound Name |
1-[4-(3'-Cyano-biphenyl-4-yl)-1-(2-methoxy-ethyl)-piperidin-4-ylmethyl]-3-(3,5-dichloro-phenyl)-urea
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| Structure |
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| Formula |
C29H30Cl2N4O2
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| Molecular Weight |
537.491
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| Canonical SMILES |
COCCN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C29H30Cl2N4O2/c1-37-14-13-35-11-9-29(10-12-35,20-33-28(36)34-27-17-25(30)16-26(31)18-27)24-7-5-22(6-8-24)23-4-2-3-21(15-23)19-32/h2-8,15-18H,9-14,20H2,1H3,(H2,33,34,36)
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| InChIKey |
RKYOBOGLUSDEKD-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