General Information of the Compound
| Compound ID |
CP0377012
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| Compound Name |
1-[4-(3'-Cyano-biphenyl-4-yl)-1-cyclobutyl-piperidin-4-ylmethyl]-3-(3,5-dichloro-phenyl)-urea
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| Structure |
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| Formula |
C30H30Cl2N4O
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| Molecular Weight |
533.503
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| Canonical SMILES |
Clc1cc(Cl)cc(NC(=O)NCC2(CCN(CC2)C2CCC2)c2ccc(cc2)-c2cccc(c2)C#N)c1
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| InChI |
InChI=1S/C30H30Cl2N4O/c31-25-16-26(32)18-27(17-25)35-29(37)34-20-30(11-13-36(14-12-30)28-5-2-6-28)24-9-7-22(8-10-24)23-4-1-3-21(15-23)19-33/h1,3-4,7-10,15-18,28H,2,5-6,11-14,20H2,(H2,34,35,37)
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| InChIKey |
JLTYJPDCKDVYCX-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