General Information of the Compound
| Compound ID |
CP0549816
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| Compound Name |
N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]-1-methylindole-5-carboxamide
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| Structure |
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| Formula |
C22H21F3N2O3S
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| Molecular Weight |
450.482
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| Canonical SMILES |
Cn1ccc2cc(ccc12)C(=O)NCc1ccc(CS(=O)(=O)C2CC2)cc1C(F)(F)F
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| InChI |
InChI=1S/C22H21F3N2O3S/c1-27-9-8-15-11-16(4-7-20(15)27)21(28)26-12-17-3-2-14(10-19(17)22(23,24)25)13-31(29,30)18-5-6-18/h2-4,7-11,18H,5-6,12-13H2,1H3,(H,26,28)
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| InChIKey |
KPZDRPAVHKAOFN-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