General Information of the Compound
| Compound ID |
CP0452885
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| Compound Name |
1-(1-phenyl-2-(1H-pyrazol-1-yl)ethyl)-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 |
C29H31F3N6O
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| Molecular Weight |
536.602
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NC(Cn2cccn2)c2ccccc2)c1
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| InChI |
InChI=1S/C29H31F3N6O/c30-29(31,32)24-7-9-26(10-8-24)37-18-11-22(20-37)19-36-16-12-25(13-17-36)34-28(39)35-27(21-38-15-4-14-33-38)23-5-2-1-3-6-23/h1-11,14-15,18,20,25,27H,12-13,16-17,19,21H2,(H2,34,35,39)
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| InChIKey |
TZAVEMGJPFYKKA-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