General Information of the Compound
| Compound ID |
CP0407602
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| Compound Name |
1-benzhydryl-3-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)urea
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| Structure |
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| Formula |
C31H31F3N4O
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| Molecular Weight |
532.61
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(c2ccccc2)c2ccccc2)c1
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| InChI |
InChI=1S/C31H31F3N4O/c32-31(33,34)26-11-13-28(14-12-26)38-20-15-23(22-38)21-37-18-16-27(17-19-37)35-30(39)36-29(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-15,20,22,27,29H,16-19,21H2,(H2,35,36,39)
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| InChIKey |
HRZRYVPXWIYFIB-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
Protein ID: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2