General Information of the Compound
| Compound ID |
CP0838621
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| Compound Name |
US9266835, 28
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| Structure |
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| Formula |
C28H18ClF3N2OS
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| Molecular Weight |
522.979
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| Canonical SMILES |
O=c1cc(/C=C/c2ccc(C(F)(F)F)cc2)c2cc(C(c3ccc(Cl)cc3)c3nccs3)ccc2[nH]1
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| InChI |
InChI=1S/C28H18ClF3N2OS/c29-22-10-5-18(6-11-22)26(27-33-13-14-36-27)20-7-12-24-23(15-20)19(16-25(35)34-24)4-1-17-2-8-21(9-3-17)28(30,31)32/h1-16,26H,(H,34,35)/b4-1+
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| InChIKey |
LWHNNHZAUBLVTM-DAFODLJHSA-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