General Information of the Compound
| Compound ID |
CP0576686
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| Compound Name |
1-(cyclopropylmethyl)-N-[[4-(cyclopropylsulfonylmethyl)-2-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
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| Structure |
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| Formula |
C25H25F3N2O3S
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| Molecular Weight |
490.547
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| Canonical SMILES |
FC(F)(F)c1cc(CS(=O)(=O)C2CC2)ccc1CNC(=O)c1ccc2n(CC3CC3)ccc2c1
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| InChI |
InChI=1S/C25H25F3N2O3S/c26-25(27,28)22-11-17(15-34(32,33)21-6-7-21)3-4-20(22)13-29-24(31)19-5-8-23-18(12-19)9-10-30(23)14-16-1-2-16/h3-5,8-12,16,21H,1-2,6-7,13-15H2,(H,29,31)
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| InChIKey |
GMRYQLOEVCPEIV-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