General Information of the Compound
| Compound ID |
CP0470329
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| Compound Name |
US8889668, I60
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| Structure |
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| Formula |
C21H19F4N3O2
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| Molecular Weight |
421.394
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| Canonical SMILES |
COc1ccc(F)cc1-c1noc(n1)-c1ccc(N2CCCCC2)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H19F4N3O2/c1-29-18-8-6-14(22)12-15(18)19-26-20(30-27-19)13-5-7-17(16(11-13)21(23,24)25)28-9-3-2-4-10-28/h5-8,11-12H,2-4,9-10H2,1H3
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| InChIKey |
NBVOJZKZQMFQJQ-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