General Information of the Compound
| Compound ID |
CP0578253
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| Compound Name |
2-methyl-5-[4-(2-methyl-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 |
Cc1cc(ccc1Nc1nnc(-c2ccc(C)c(c2)S(N)(=O)=O)c2ccccc12)S(N)(=O)=O
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| InChI |
InChI=1S/C22H21N5O4S2/c1-13-7-8-15(12-20(13)33(24,30)31)21-17-5-3-4-6-18(17)22(27-26-21)25-19-10-9-16(11-14(19)2)32(23,28)29/h3-12H,1-2H3,(H,25,27)(H2,23,28,29)(H2,24,30,31)
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| InChIKey |
RJSAPCKHRYGYPV-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