General Information of the Compound
| Compound ID |
CP0378250
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| Compound Name |
1-(3,5-Dichloro-phenyl)-3-(1-methyl-4-p-tolyl-piperidin-4-ylmethyl)-urea
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| Structure |
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| Formula |
C21H25Cl2N3O
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| Molecular Weight |
406.357
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| Canonical SMILES |
CN1CCC(CNC(=O)Nc2cc(Cl)cc(Cl)c2)(CC1)c1ccc(C)cc1
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| InChI |
InChI=1S/C21H25Cl2N3O/c1-15-3-5-16(6-4-15)21(7-9-26(2)10-8-21)14-24-20(27)25-19-12-17(22)11-18(23)13-19/h3-6,11-13H,7-10,14H2,1-2H3,(H2,24,25,27)
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| InChIKey |
XWAIJWKTDQPUKU-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