General Information of the Compound
| Compound ID |
CP0460987
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| Compound Name |
2-[[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)quinazolin-4-yl]amino]-N-phenylethanesulfonamide
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| Structure |
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| Formula |
C22H25F3N6O2S
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| Molecular Weight |
494.543
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| Canonical SMILES |
CN1CCN(CC1)c1nc(NCCS(=O)(=O)Nc2ccccc2)c2c(cccc2n1)C(F)(F)F
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| InChI |
InChI=1S/C22H25F3N6O2S/c1-30-11-13-31(14-12-30)21-27-18-9-5-8-17(22(23,24)25)19(18)20(28-21)26-10-15-34(32,33)29-16-6-3-2-4-7-16/h2-9,29H,10-15H2,1H3,(H,26,27,28)
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| InChIKey |
PYBPLGUVZYIGCJ-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