General Information of the Compound
| Compound ID |
CP0160385
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| Compound Name |
1-[2-[2-(1-benzylpiperidin-4-yl)phenoxy]pyridin-3-yl]-3-[4-(trifluoromethoxy)phenyl]urea
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| Structure |
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| Formula |
C31H29F3N4O3
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| Molecular Weight |
562.592
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| Canonical SMILES |
FC(F)(F)Oc1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C2CCN(Cc3ccccc3)CC2)cc1
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| InChI |
InChI=1S/C31H29F3N4O3/c32-31(33,34)41-25-14-12-24(13-15-25)36-30(39)37-27-10-6-18-35-29(27)40-28-11-5-4-9-26(28)23-16-19-38(20-17-23)21-22-7-2-1-3-8-22/h1-15,18,23H,16-17,19-21H2,(H2,36,37,39)
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| InChIKey |
GTTXZQJMEXLDGZ-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