General Information of the Compound
| Compound ID |
CP0461046
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| Compound Name |
1-(3-fluorobenzyl)-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 |
C25H26F4N4O
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| Molecular Weight |
474.502
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| Canonical SMILES |
Fc1cccc(CNC(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)c1
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| InChI |
InChI=1S/C25H26F4N4O/c26-21-3-1-2-18(14-21)15-30-24(34)31-22-9-11-32(12-10-22)16-19-8-13-33(17-19)23-6-4-20(5-7-23)25(27,28)29/h1-8,13-14,17,22H,9-12,15-16H2,(H2,30,31,34)
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| InChIKey |
VTNWSYVFHWRNDS-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