General Information of the Compound
| Compound ID |
CP0246617
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| Compound Name |
US8846658, 144
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| Structure |
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| Formula |
C19H16F3N5O2
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| Molecular Weight |
403.364
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| Canonical SMILES |
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(COCC(N)=N1)C(F)F)C#N
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| InChI |
InChI=1S/C19H16F3N5O2/c1-10-4-11(6-23)7-25-16(10)17(28)26-12-2-3-14(20)13(5-12)19(18(21)22)9-29-8-15(24)27-19/h2-5,7,18H,8-9H2,1H3,(H2,24,27)(H,26,28)/t19-/m0/s1
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| InChIKey |
DHIZXRDJXNCTKQ-IBGZPJMESA-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