General Information of the Compound
| Compound ID |
CP0563334
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| Compound Name |
US9187424, 40
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| Structure |
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| Formula |
C27H21F3N2O2
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| Molecular Weight |
462.471
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(cc1)C1(CC(=C(C#N)C(=O)N1)c1ccc(C)cc1)C(F)(F)F
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| InChI |
InChI=1S/C27H21F3N2O2/c1-17-3-5-20(6-4-17)23-15-26(27(28,29)30,32-25(33)24(23)16-31)21-11-7-18(8-12-21)19-9-13-22(34-2)14-10-19/h3-14H,15H2,1-2H3,(H,32,33)
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| InChIKey |
QYBDWYUBHNPWBQ-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