General Information of the Compound
| Compound ID |
CP0229834
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| Compound Name |
1-(1-(1H-imidazol-1-yl)-3-methylbutan-2-yl)-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 |
C26H33F3N6O
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| Molecular Weight |
502.585
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| Canonical SMILES |
CC(C)C(Cn1ccnc1)NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C26H33F3N6O/c1-19(2)24(17-34-14-10-30-18-34)32-25(36)31-22-8-11-33(12-9-22)15-20-7-13-35(16-20)23-5-3-21(4-6-23)26(27,28)29/h3-7,10,13-14,16,18-19,22,24H,8-9,11-12,15,17H2,1-2H3,(H2,31,32,36)
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| InChIKey |
SWXMZPVNESUFKL-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