General Information of the Compound
| Compound ID |
CP0561338
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| Compound Name |
US9199981, F71
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| Structure |
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| Formula |
C21H16F3N5O2
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| Molecular Weight |
427.386
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(F)cn12)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C21H16F3N5O2/c1-11-2-3-12(18-27-20(31-28-18)13-7-21(23,24)8-13)6-15(11)26-19(30)16-9-25-17-5-4-14(22)10-29(16)17/h2-6,9-10,13H,7-8H2,1H3,(H,26,30)
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| InChIKey |
XHQBPWQRZZIMAA-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