General Information of the Compound
| Compound ID |
CP0506083
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| Compound Name |
N-[(2-chloro-4-hydroxyphenyl)methyl]-1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C25H25ClF3N3O2
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| Molecular Weight |
491.941
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| Canonical SMILES |
Oc1ccc(CNC(=O)C2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)CC2)c(Cl)c1
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| InChI |
InChI=1S/C25H25ClF3N3O2/c26-23-13-22(33)6-1-19(23)14-30-24(34)18-8-10-31(11-9-18)15-17-7-12-32(16-17)21-4-2-20(3-5-21)25(27,28)29/h1-7,12-13,16,18,33H,8-11,14-15H2,(H,30,34)
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| InChIKey |
GAHRODNBDYESRP-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