General Information of the Compound
| Compound ID |
CP0572386
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| Compound Name |
US9012443, 15
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| Structure |
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| Formula |
C23H22N4O3S2
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| Molecular Weight |
466.588
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| Canonical SMILES |
CC1(CN(CCO1)c1cccc2cc(ccc12)S(=O)(=O)Nc1ncns1)c1ccccc1
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| InChI |
InChI=1S/C23H22N4O3S2/c1-23(18-7-3-2-4-8-18)15-27(12-13-30-23)21-9-5-6-17-14-19(10-11-20(17)21)32(28,29)26-22-24-16-25-31-22/h2-11,14,16H,12-13,15H2,1H3,(H,24,25,26)
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| InChIKey |
UIHBPMLKWAVTGJ-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