General Information of the Compound
| Compound ID |
CP0047202
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| Compound Name |
4-[[4-(4-methyl-3-morpholin-4-ylsulfonylphenyl)phthalazin-1-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C25H25N5O5S2
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| Molecular Weight |
539.639
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| Canonical SMILES |
Cc1ccc(cc1S(=O)(=O)N1CCOCC1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C25H25N5O5S2/c1-17-6-7-18(16-23(17)37(33,34)30-12-14-35-15-13-30)24-21-4-2-3-5-22(21)25(29-28-24)27-19-8-10-20(11-9-19)36(26,31)32/h2-11,16H,12-15H2,1H3,(H,27,29)(H2,26,31,32)
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| InChIKey |
QZLIDEBYPOWTHS-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