General Information of the Compound
| Compound ID |
CP0192349
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| Compound Name |
1-phenyl-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)-3,4-dihydropyrrolo[1,2-a]pyrazine-2(1H)-carboxamide
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| Structure |
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| Formula |
C31H32F3N5O
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| Molecular Weight |
547.625
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CCn3cccc3C2c2ccccc2)c1
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| InChI |
InChI=1S/C31H32F3N5O/c32-31(33,34)25-8-10-27(11-9-25)38-18-12-23(22-38)21-36-16-13-26(14-17-36)35-30(40)39-20-19-37-15-4-7-28(37)29(39)24-5-2-1-3-6-24/h1-12,15,18,22,26,29H,13-14,16-17,19-21H2,(H,35,40)
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| InChIKey |
PSCSTQNZPOWDJA-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