General Information of the Compound
| Compound ID |
CP0452879
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| Compound Name |
3-(1,4-oxazepan-4-yl)-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)azetidine-1-carboxamide
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| Structure |
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| Formula |
C26H34F3N5O2
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| Molecular Weight |
505.585
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CC(C2)N2CCCOCC2)c1
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| InChI |
InChI=1S/C26H34F3N5O2/c27-26(28,29)21-2-4-23(5-3-21)33-12-6-20(17-33)16-31-10-7-22(8-11-31)30-25(35)34-18-24(19-34)32-9-1-14-36-15-13-32/h2-6,12,17,22,24H,1,7-11,13-16,18-19H2,(H,30,35)
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| InChIKey |
SGJZGUFWKZGFBS-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