General Information of the Compound
| Compound ID |
CP0575611
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| Compound Name |
US9085576, 240
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| Structure |
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| Formula |
C15H16F3N3O3
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| Molecular Weight |
343.305
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| Canonical SMILES |
COCC(=O)Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F
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| InChI |
InChI=1S/C15H16F3N3O3/c1-23-6-12(22)20-7-2-3-10(16)8(4-7)15(13(17)18)9-5-11(9)24-14(19)21-15/h2-4,9,11,13H,5-6H2,1H3,(H2,19,21)(H,20,22)/t9-,11+,15+/m0/s1
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| InChIKey |
JJSHKENNJOTJRO-ZVWUFJHRSA-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