General Information of the Compound
| Compound ID |
CP0311948
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| Compound Name |
4-[4-(4-Sulfamoyl-phenylamino)-phthalazin-1-yl]-benzamide
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| Structure |
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| Formula |
C21H17N5O3S
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| Molecular Weight |
419.466
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| Canonical SMILES |
NC(=O)c1ccc(cc1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C21H17N5O3S/c22-20(27)14-7-5-13(6-8-14)19-17-3-1-2-4-18(17)21(26-25-19)24-15-9-11-16(12-10-15)30(23,28)29/h1-12H,(H2,22,27)(H,24,26)(H2,23,28,29)
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| InChIKey |
CPOUJZWZCROKKO-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