General Information of the Compound
| Compound ID |
CP0568130
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| Compound Name |
N-(1-hydroxy-2-methylpropan-2-yl)-2-methyl-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide
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| Structure |
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| Formula |
C25H27N5O5S2
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| Molecular Weight |
541.655
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| Canonical SMILES |
Cc1ccc(cc1S(=O)(=O)NC(C)(C)CO)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C25H27N5O5S2/c1-16-8-9-17(14-22(16)37(34,35)30-25(2,3)15-31)23-20-6-4-5-7-21(20)24(29-28-23)27-18-10-12-19(13-11-18)36(26,32)33/h4-14,30-31H,15H2,1-3H3,(H,27,29)(H2,26,32,33)
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| InChIKey |
ITQAVBNFIDRIBE-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