General Information of the Compound
| Compound ID |
CP0413975
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| Compound Name |
US8754075, 32
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| Structure |
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| Formula |
C15H17F2N3O2
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| Molecular Weight |
309.316
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| Canonical SMILES |
C[C@@]1(N=C(N)OC[C@@H]1F)c1cc(NC(=O)C2CC2)ccc1F
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| InChI |
InChI=1S/C15H17F2N3O2/c1-15(12(17)7-22-14(18)20-15)10-6-9(4-5-11(10)16)19-13(21)8-2-3-8/h4-6,8,12H,2-3,7H2,1H3,(H2,18,20)(H,19,21)/t12-,15+/m0/s1
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| InChIKey |
INWRFXBKLBWURP-SWLSCSKDSA-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