General Information of the Compound
| Compound ID |
CP0576274
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| Compound Name |
2-methyl-N-(pyridin-2-ylmethyl)-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide
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| Structure |
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| Formula |
C27H24N6O4S2
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| Molecular Weight |
560.661
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| Canonical SMILES |
Cc1ccc(cc1S(=O)(=O)NCc1ccccn1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C27H24N6O4S2/c1-18-9-10-19(16-25(18)39(36,37)30-17-21-6-4-5-15-29-21)26-23-7-2-3-8-24(23)27(33-32-26)31-20-11-13-22(14-12-20)38(28,34)35/h2-16,30H,17H2,1H3,(H,31,33)(H2,28,34,35)
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| InChIKey |
MWYBWYBJIFJRII-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