General Information of the Compound
| Compound ID |
CP0525501
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| Compound Name |
1-(4-fluorophenyl)-4-oxo-7-phenylsulfanyl-N-piperidin-1-ylquinoline-3-carboxamide
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| Structure |
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| Formula |
C27H24FN3O2S
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| Molecular Weight |
473.573
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| Canonical SMILES |
Fc1ccc(cc1)-n1cc(C(=O)NN2CCCCC2)c(=O)c2ccc(Sc3ccccc3)cc12
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| InChI |
InChI=1S/C27H24FN3O2S/c28-19-9-11-20(12-10-19)31-18-24(27(33)29-30-15-5-2-6-16-30)26(32)23-14-13-22(17-25(23)31)34-21-7-3-1-4-8-21/h1,3-4,7-14,17-18H,2,5-6,15-16H2,(H,29,33)
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| InChIKey |
KQOFFAZTYIIJNS-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2