General Information of the Compound
| Compound ID |
CP0747958
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| Compound Name |
US9266835, 11
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| Structure |
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| Formula |
C27H20Cl2N2OS
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| Molecular Weight |
491.443
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| Canonical SMILES |
O=c1cc(CCc2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)c3nccs3)ccc2[nH]1
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| InChI |
InChI=1S/C27H20Cl2N2OS/c28-21-9-6-18(7-10-21)26(27-30-12-13-33-27)20-8-11-24-23(15-20)19(16-25(32)31-24)5-4-17-2-1-3-22(29)14-17/h1-3,6-16,26H,4-5H2,(H,31,32)
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| InChIKey |
QRHVHCOQSXTVEG-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