General Information of the Compound
| Compound ID |
CP0415682
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| Compound Name |
N-[2-chloro-3-[[4-(dimethylamino)quinazolin-6-yl]amino]-4-fluorophenyl]propane-1-sulfonamide
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| Structure |
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| Formula |
C19H21ClFN5O2S
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| Molecular Weight |
437.928
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| Canonical SMILES |
CCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3ncnc(N(C)C)c3c2)c1Cl
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| InChI |
InChI=1S/C19H21ClFN5O2S/c1-4-9-29(27,28)25-16-8-6-14(21)18(17(16)20)24-12-5-7-15-13(10-12)19(26(2)3)23-11-22-15/h5-8,10-11,24-25H,4,9H2,1-3H3
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| InChIKey |
DAIDRPCAEDGHAK-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