General Information of the Compound
| Compound ID |
CP0263177
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| Compound Name |
1-[4-[1,4']Bipiperidinyl-1'-yl-2-(3,4-dichloro-phenyl)-butyl]-3-(4-trifluoromethyl-phenyl)-urea
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| Structure |
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| Formula |
C28H35Cl2F3N4O
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| Molecular Weight |
571.515
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)NCC(CCN2CCC(CC2)N2CCCCC2)c2ccc(Cl)c(Cl)c2)cc1
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| InChI |
InChI=1S/C28H35Cl2F3N4O/c29-25-9-4-20(18-26(25)30)21(10-15-36-16-11-24(12-17-36)37-13-2-1-3-14-37)19-34-27(38)35-23-7-5-22(6-8-23)28(31,32)33/h4-9,18,21,24H,1-3,10-17,19H2,(H2,34,35,38)
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| InChIKey |
XWTXCJZHFFXBFP-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