General Information of the Compound
| Compound ID |
CP0431568
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| Compound Name |
1-[1-sec-Butyl-4-(3'-cyano-biphenyl-4-yl)-piperidin-4-ylmethyl]-3-(3,5-dichloro-phenyl)-urea
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| Structure |
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| Formula |
C30H32Cl2N4O
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| Molecular Weight |
535.519
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| Canonical SMILES |
CCC(C)N1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(cc1)-c1cccc(c1)C#N
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| InChI |
InChI=1S/C30H32Cl2N4O/c1-3-21(2)36-13-11-30(12-14-36,20-34-29(37)35-28-17-26(31)16-27(32)18-28)25-9-7-23(8-10-25)24-6-4-5-22(15-24)19-33/h4-10,15-18,21H,3,11-14,20H2,1-2H3,(H2,34,35,37)
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| InChIKey |
QMHJPCALNRDHSD-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