General Information of the Compound
| Compound ID |
CP0485354
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| Compound Name |
N-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]-3-[4-(trifluoromethyl)piperidin-1-yl]azetidine-1-carboxamide
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| Structure |
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| Formula |
C27H33F6N5O
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| Molecular Weight |
557.583
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| Canonical SMILES |
FC(F)(F)C1CCN(CC1)C1CN(C1)C(=O)NC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C27H33F6N5O/c28-26(29,30)20-1-3-23(4-2-20)37-12-5-19(16-37)15-35-10-8-22(9-11-35)34-25(39)38-17-24(18-38)36-13-6-21(7-14-36)27(31,32)33/h1-5,12,16,21-22,24H,6-11,13-15,17-18H2,(H,34,39)
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| InChIKey |
HQUPRNPGAJKMAH-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