General Information of the Compound
| Compound ID |
CP0571724
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| Compound Name |
2-chloro-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide
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| Structure |
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| Formula |
C20H16ClN5O4S2
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| Molecular Weight |
489.966
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(Cl)c(c3)S(N)(=O)=O)c3ccccc23)cc1
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| InChI |
InChI=1S/C20H16ClN5O4S2/c21-17-10-5-12(11-18(17)32(23,29)30)19-15-3-1-2-4-16(15)20(26-25-19)24-13-6-8-14(9-7-13)31(22,27)28/h1-11H,(H,24,26)(H2,22,27,28)(H2,23,29,30)
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| InChIKey |
BGSMGEZYEAHASW-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