General Information of the Compound
| Compound ID |
CP0475871
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| Compound Name |
1-[4-(3'-Cyano-biphenyl-4-yl)-1-methyl-piperidin-4-ylmethyl]-3-(2,5-dichloro-phenyl)-urea
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| Structure |
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| Formula |
C27H26Cl2N4O
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| Molecular Weight |
493.438
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| Canonical SMILES |
CN1CCC(CNC(=O)Nc2cc(Cl)ccc2Cl)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C27H26Cl2N4O/c1-33-13-11-27(12-14-33,18-31-26(34)32-25-16-23(28)9-10-24(25)29)22-7-5-20(6-8-22)21-4-2-3-19(15-21)17-30/h2-10,15-16H,11-14,18H2,1H3,(H2,31,32,34)
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| InChIKey |
UGTWSKWWLKZDSQ-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