General Information of the Compound
| Compound ID |
CP0452884
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| Compound Name |
2-(pyridin-3-yl)-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)pyrrolidine-1-carboxamide
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| Structure |
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| Formula |
C27H30F3N5O
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| Molecular Weight |
497.565
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CCCC2c2cccnc2)c1
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| InChI |
InChI=1S/C27H30F3N5O/c28-27(29,30)22-5-7-24(8-6-22)34-16-9-20(19-34)18-33-14-10-23(11-15-33)32-26(36)35-13-2-4-25(35)21-3-1-12-31-17-21/h1,3,5-9,12,16-17,19,23,25H,2,4,10-11,13-15,18H2,(H,32,36)
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| InChIKey |
SRXKNIWFNXRRCM-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