General Information of the Compound
| Compound ID |
CP0365601
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| Compound Name |
US8598155, 55
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| Structure |
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| Formula |
C20H19F2N7O
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| Molecular Weight |
411.416
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| Canonical SMILES |
COc1ccc(-c2c(cnn2C)-c2nc(C)n3ncnc(N4CCC4)c23)c(F)c1F
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| InChI |
InChI=1S/C20H19F2N7O/c1-11-26-17(19-20(28-7-4-8-28)23-10-25-29(11)19)13-9-24-27(2)18(13)12-5-6-14(30-3)16(22)15(12)21/h5-6,9-10H,4,7-8H2,1-3H3
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| InChIKey |
VHHPCGFDBOEVKQ-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