General Information of the Compound
| Compound ID |
CP0569622
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| Compound Name |
4-[[4-[4-methyl-3-(1,3,4-oxadiazol-2-yl)phenyl]phthalazin-1-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C23H18N6O3S
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| Molecular Weight |
458.503
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| Canonical SMILES |
Cc1ccc(cc1-c1nnco1)-c1nnc(Nc2ccc(cc2)S(N)(=O)=O)c2ccccc12
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| InChI |
InChI=1S/C23H18N6O3S/c1-14-6-7-15(12-20(14)23-29-25-13-32-23)21-18-4-2-3-5-19(18)22(28-27-21)26-16-8-10-17(11-9-16)33(24,30)31/h2-13H,1H3,(H,26,28)(H2,24,30,31)
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| InChIKey |
IPHUCMMLUXWXBN-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