General Information of the Compound
| Compound ID |
CP0357226
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| Compound Name |
1-(2-(2-methyl-1H-imidazol-1-yl)-1-phenylethyl)-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 |
C30H33F3N6O
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| Molecular Weight |
550.629
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| Canonical SMILES |
Cc1nccn1CC(NC(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccccc1
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| InChI |
InChI=1S/C30H33F3N6O/c1-22-34-14-18-38(22)21-28(24-5-3-2-4-6-24)36-29(40)35-26-12-15-37(16-13-26)19-23-11-17-39(20-23)27-9-7-25(8-10-27)30(31,32)33/h2-11,14,17-18,20,26,28H,12-13,15-16,19,21H2,1H3,(H2,35,36,40)
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| InChIKey |
ZWLGQCPYBKFAIX-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