General Information of the Compound
| Compound ID |
CP0382343
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| Compound Name |
1-ethyl-N-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxobenzo[cd]indole-6-sulfonamide
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| Structure |
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| Formula |
C20H17F3N4O3S
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| Molecular Weight |
450.442
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| Canonical SMILES |
CCN1C(=O)c2cccc3c(ccc1c23)S(=O)(=O)NCc1nc(C)cc(n1)C(F)(F)F
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| InChI |
InChI=1S/C20H17F3N4O3S/c1-3-27-14-7-8-15(12-5-4-6-13(18(12)14)19(27)28)31(29,30)24-10-17-25-11(2)9-16(26-17)20(21,22)23/h4-9,24H,3,10H2,1-2H3
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| InChIKey |
GNUSAABXOXWQNT-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