General Information of the Compound
| Compound ID |
CP0795027
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| Compound Name |
US9266835, 33
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| Structure |
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| Formula |
C31H21ClF3NO
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| Molecular Weight |
515.962
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| Canonical SMILES |
O=c1cc(/C=C/c2ccc(C(F)(F)F)cc2)c2cc(C(c3ccccc3)c3ccc(Cl)cc3)ccc2[nH]1
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| InChI |
InChI=1S/C31H21ClF3NO/c32-26-15-10-22(11-16-26)30(21-4-2-1-3-5-21)24-12-17-28-27(18-24)23(19-29(37)36-28)9-6-20-7-13-25(14-8-20)31(33,34)35/h1-19,30H,(H,36,37)/b9-6+
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| InChIKey |
RBYRKKSDIDNREM-RMKNXTFCSA-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