General Information of the Compound
| Compound ID |
CP0577214
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| Compound Name |
4-[[4-[3-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methylphenyl]phthalazin-1-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C25H22N6O2S2
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| Molecular Weight |
502.625
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| Canonical SMILES |
CCc1nnc(s1)-c1cc(ccc1C)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C25H22N6O2S2/c1-3-22-28-31-25(34-22)21-14-16(9-8-15(21)2)23-19-6-4-5-7-20(19)24(30-29-23)27-17-10-12-18(13-11-17)35(26,32)33/h4-14H,3H2,1-2H3,(H,27,30)(H2,26,32,33)
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| InChIKey |
MXSNZJNGATUEIG-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