General Information of the Compound
| Compound ID |
CP0579125
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| Compound Name |
5-[4-(4-chloroanilino)phthalazin-1-yl]-2-methylbenzenesulfonamide
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| Structure |
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| Formula |
C21H17ClN4O2S
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| Molecular Weight |
424.913
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| Canonical SMILES |
Cc1ccc(cc1S(N)(=O)=O)-c1nnc(Nc2ccc(Cl)cc2)c2ccccc12
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| InChI |
InChI=1S/C21H17ClN4O2S/c1-13-6-7-14(12-19(13)29(23,27)28)20-17-4-2-3-5-18(17)21(26-25-20)24-16-10-8-15(22)9-11-16/h2-12H,1H3,(H,24,26)(H2,23,27,28)
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| InChIKey |
XYLPTBOZIPMDEF-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