General Information of the Compound
| Compound ID |
CP0569136
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| Compound Name |
US9199981, F119
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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)c1cnc2ccccn12)-c1noc(n1)C1(CC1)C(F)(F)F
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| InChI |
InChI=1S/C21H16F3N5O2/c1-12-5-6-13(17-27-19(31-28-17)20(7-8-20)21(22,23)24)10-14(12)26-18(30)15-11-25-16-4-2-3-9-29(15)16/h2-6,9-11H,7-8H2,1H3,(H,26,30)
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| InChIKey |
ZTSBMHAPDJMGKM-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