General Information of the Compound
| Compound ID |
CP0491020
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| Compound Name |
US8754075, 51
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| Structure |
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| Formula |
C18H14F3N5O2
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| Molecular Weight |
389.337
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| Canonical SMILES |
NC1=N[C@@](CF)([C@@H](F)CO1)c1cc(NC(=O)c2ccc(cn2)[N+]#[C-])ccc1F
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| InChI |
InChI=1S/C18H14F3N5O2/c1-23-11-3-5-14(24-7-11)16(27)25-10-2-4-13(20)12(6-10)18(9-19)15(21)8-28-17(22)26-18/h2-7,15H,8-9H2,(H2,22,26)(H,25,27)/t15-,18+/m0/s1
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| InChIKey |
ULMKBCWEMAYQPY-MAUKXSAKSA-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