General Information of the Compound
| Compound ID |
CP0580034
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| Compound Name |
N,2-dimethyl-5-[4-(4-sulfamoylanilino)phthalazin-1-yl]benzenesulfonamide
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| Structure |
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| Formula |
C22H21N5O4S2
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| Molecular Weight |
483.575
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| Canonical SMILES |
CNS(=O)(=O)c1cc(ccc1C)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C22H21N5O4S2/c1-14-7-8-15(13-20(14)33(30,31)24-2)21-18-5-3-4-6-19(18)22(27-26-21)25-16-9-11-17(12-10-16)32(23,28)29/h3-13,24H,1-2H3,(H,25,27)(H2,23,28,29)
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| InChIKey |
MUNNYYPAUIOQLL-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