General Information of the Compound
| Compound ID |
CP0434055
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| Compound Name |
1-(3,5-Dichloro-phenyl)-3-[4-(4-pyridin-3-yl-phenyl)-piperidin-4-ylmethyl]-urea
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| Structure |
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| Formula |
C24H24Cl2N4O
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| Molecular Weight |
455.389
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| Canonical SMILES |
Clc1cc(Cl)cc(NC(=O)NCC2(CCNCC2)c2ccc(cc2)-c2cccnc2)c1
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| InChI |
InChI=1S/C24H24Cl2N4O/c25-20-12-21(26)14-22(13-20)30-23(31)29-16-24(7-10-27-11-8-24)19-5-3-17(4-6-19)18-2-1-9-28-15-18/h1-6,9,12-15,27H,7-8,10-11,16H2,(H2,29,30,31)
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| InChIKey |
LRJDGIGFZKJDPI-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