General Information of the Compound
| Compound ID |
CP0462716
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| Compound Name |
US8754075, 30
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| Structure |
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| Formula |
C17H19F2N5O2
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| Molecular Weight |
363.368
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| Canonical SMILES |
Cc1cc(nn1C)C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)OC[C@@H]1F
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| InChI |
InChI=1S/C17H19F2N5O2/c1-9-6-13(23-24(9)3)15(25)21-10-4-5-12(18)11(7-10)17(2)14(19)8-26-16(20)22-17/h4-7,14H,8H2,1-3H3,(H2,20,22)(H,21,25)/t14-,17+/m0/s1
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| InChIKey |
OFVJRTFMLSWACW-WMLDXEAASA-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