General Information of the Compound
| Compound ID |
CP0473760
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| Compound Name |
3-(pyrrolidine-1-carbonyl)-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)piperidine-1-carboxamide
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| Structure |
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| Formula |
C28H36F3N5O2
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| Molecular Weight |
531.623
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CCCC(C2)C(=O)N2CCCC2)c1
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| InChI |
InChI=1S/C28H36F3N5O2/c29-28(30,31)23-5-7-25(8-6-23)35-17-9-21(19-35)18-33-15-10-24(11-16-33)32-27(38)36-14-3-4-22(20-36)26(37)34-12-1-2-13-34/h5-9,17,19,22,24H,1-4,10-16,18,20H2,(H,32,38)
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| InChIKey |
FFPXRAZWOIIMNJ-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