General Information of the Compound
| Compound ID |
CP0499165
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| Compound Name |
3-(3,4-Dichloro-phenyl)-1-[1-(3,3-diphenyl-propyl)-piperidin-4-yl]-1-methyl-urea
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| Structure |
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| Formula |
C28H31Cl2N3O
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| Molecular Weight |
496.482
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| Canonical SMILES |
CN(C1CCN(CCC(c2ccccc2)c2ccccc2)CC1)C(=O)Nc1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C28H31Cl2N3O/c1-32(28(34)31-23-12-13-26(29)27(30)20-23)24-14-17-33(18-15-24)19-16-25(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,20,24-25H,14-19H2,1H3,(H,31,34)
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| InChIKey |
JTMDMPALVWHPNS-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