General Information of the Compound
| Compound ID |
CP0508158
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| Compound Name |
1-((1H-benzo[d]imidazol-2-yl)methyl)-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 |
C26H27F3N6O
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| Molecular Weight |
496.537
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)NCc2nc3ccccc3[nH]2)c1
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| InChI |
InChI=1S/C26H27F3N6O/c27-26(28,29)19-5-7-21(8-6-19)35-14-9-18(17-35)16-34-12-10-20(11-13-34)31-25(36)30-15-24-32-22-3-1-2-4-23(22)33-24/h1-9,14,17,20H,10-13,15-16H2,(H,32,33)(H2,30,31,36)
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| InChIKey |
FBLXDQZBLSCZPR-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