General Information of the Compound
| Compound ID |
CP0576524
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| Compound Name |
4-[[4-(4-prop-2-ynoxyphenyl)phthalazin-1-yl]amino]benzenesulfonamide
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| Structure |
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| Formula |
C23H18N4O3S
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| Molecular Weight |
430.489
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Nc2nnc(-c3ccc(OCC#C)cc3)c3ccccc23)cc1
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| InChI |
InChI=1S/C23H18N4O3S/c1-2-15-30-18-11-7-16(8-12-18)22-20-5-3-4-6-21(20)23(27-26-22)25-17-9-13-19(14-10-17)31(24,28)29/h1,3-14H,15H2,(H,25,27)(H2,24,28,29)
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| InChIKey |
CJYMFQIQJIZWMH-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