General Information of the Compound
| Compound ID |
CP0522613
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| Compound Name |
US9085576, 422
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| Structure |
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| Formula |
C19H15ClF6N4O
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| Molecular Weight |
464.797
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| Canonical SMILES |
NC1=N[C@@](C(F)F)([C@H]2C[C@H]2O1)c1cc(N[C@H](c2ccc(Cl)cn2)C(F)(F)F)ccc1F
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| InChI |
InChI=1S/C19H15ClF6N4O/c20-8-1-4-13(28-7-8)15(19(24,25)26)29-9-2-3-12(21)10(5-9)18(16(22)23)11-6-14(11)31-17(27)30-18/h1-5,7,11,14-16,29H,6H2,(H2,27,30)/t11-,14+,15+,18+/m0/s1
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| InChIKey |
PVBRUYSYBPCAJO-WMNQNFFBSA-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