General Information of the Compound
| Compound ID |
CP0557271
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| Compound Name |
US8987473, 124
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| Structure |
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| Formula |
C20H17ClN2O2S
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| Molecular Weight |
384.888
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| Canonical SMILES |
Cc1nn(Cc2csc3ccc(Cl)cc23)c2cc(CCC(O)=O)ccc12
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| InChI |
InChI=1S/C20H17ClN2O2S/c1-12-16-5-2-13(3-7-20(24)25)8-18(16)23(22-12)10-14-11-26-19-6-4-15(21)9-17(14)19/h2,4-6,8-9,11H,3,7,10H2,1H3,(H,24,25)
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| InChIKey |
ZRQLKFDHIHSQAR-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