General Information of the Compound
| Compound ID |
CP0422024
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| Compound Name |
3-(1,1-Dioxo-1lambda6-thiomorpholin-4-yl)-azetidine-1-carboxylic acid{1-[1-(4-trifluoromethyl-phenyl)-1H-pyrrol-3-ylmethyl]-piperidin-4-yl}-amide
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| Structure |
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| Formula |
C25H32F3N5O3S
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| Molecular Weight |
539.624
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)-n1ccc(CN2CCC(CC2)NC(=O)N2CC(C2)N2CCS(=O)(=O)CC2)c1
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| InChI |
InChI=1S/C25H32F3N5O3S/c26-25(27,28)20-1-3-22(4-2-20)32-10-5-19(16-32)15-30-8-6-21(7-9-30)29-24(34)33-17-23(18-33)31-11-13-37(35,36)14-12-31/h1-5,10,16,21,23H,6-9,11-15,17-18H2,(H,29,34)
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| InChIKey |
LLTORSDCOKMLEJ-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