General Information of the Compound
| Compound ID |
CP0481610
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| Compound Name |
4-[[4-(4-methyl-3-piperidin-1-ylsulfonylphenyl)phthalazin-1-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C26H27N5O4S2
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| Molecular Weight |
537.667
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| Canonical SMILES |
Cc1ccc(cc1S(=O)(=O)N1CCCCC1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C26H27N5O4S2/c1-18-9-10-19(17-24(18)37(34,35)31-15-5-2-6-16-31)25-22-7-3-4-8-23(22)26(30-29-25)28-20-11-13-21(14-12-20)36(27,32)33/h3-4,7-14,17H,2,5-6,15-16H2,1H3,(H,28,30)(H2,27,32,33)
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| InChIKey |
JBLKPRKOUYFGEH-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