General Information of the Compound
| Compound ID |
CP0772732
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| Compound Name |
US9266835, 25
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| Structure |
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| Formula |
C27H19ClN2OS
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| Molecular Weight |
454.982
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| Canonical SMILES |
O=c1cc(/C=C/c2ccccc2)c2cc(C(c3ccc(Cl)cc3)c3nccs3)ccc2[nH]1
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| InChI |
InChI=1S/C27H19ClN2OS/c28-22-11-8-19(9-12-22)26(27-29-14-15-32-27)21-10-13-24-23(16-21)20(17-25(31)30-24)7-6-18-4-2-1-3-5-18/h1-17,26H,(H,30,31)/b7-6+
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| InChIKey |
KNHYBRQNNQTXIQ-VOTSOKGWSA-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