General Information of the Compound
| Compound ID |
CP0431389
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| Compound Name |
1-(((1S,2R)-2-hydroxycyclohexyl)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 |
C25H33F3N4O2
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| Molecular Weight |
478.559
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| Canonical SMILES |
O[C@@H]1CCCC[C@H]1CNC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C25H33F3N4O2/c26-25(27,28)20-5-7-22(8-6-20)32-14-9-18(17-32)16-31-12-10-21(11-13-31)30-24(34)29-15-19-3-1-2-4-23(19)33/h5-9,14,17,19,21,23,33H,1-4,10-13,15-16H2,(H2,29,30,34)/t19-,23+/m0/s1
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| InChIKey |
GKKXKERIMABTMR-WMZHIEFXSA-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