General Information of the Compound
| Compound ID |
CP0506010
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| Compound Name |
4-methyl-2-phenyl-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)piperazine-1-carboxamide
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| Structure |
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| Formula |
C29H34F3N5O
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| Molecular Weight |
525.619
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| Canonical SMILES |
CN1CCN(C(C1)c1ccccc1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C29H34F3N5O/c1-34-17-18-37(27(21-34)23-5-3-2-4-6-23)28(38)33-25-12-14-35(15-13-25)19-22-11-16-36(20-22)26-9-7-24(8-10-26)29(30,31)32/h2-11,16,20,25,27H,12-15,17-19,21H2,1H3,(H,33,38)
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| InChIKey |
HLFQPMNDRXUKAD-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