General Information of the Compound
| Compound ID |
CP0576272
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| Compound Name |
4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C21H18N4O3S
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| Molecular Weight |
406.467
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| Canonical SMILES |
COc1ccc(cc1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C21H18N4O3S/c1-28-16-10-6-14(7-11-16)20-18-4-2-3-5-19(18)21(25-24-20)23-15-8-12-17(13-9-15)29(22,26)27/h2-13H,1H3,(H,23,25)(H2,22,26,27)
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| InChIKey |
YZFSGMLQROGKMX-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