General Information of the Compound
| Compound ID |
CP0174160
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| Compound Name |
US9163008, 99
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| Structure |
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| Formula |
C21H17F3N6O3
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| Molecular Weight |
458.4
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| Canonical SMILES |
NC(=O)c1cc(N[C@H]2CCNC2=O)nc(n1)-c1ccc(Oc2ccc(cn2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C21H17F3N6O3/c22-21(23,24)12-3-6-17(27-10-12)33-13-4-1-11(2-5-13)19-29-15(18(25)31)9-16(30-19)28-14-7-8-26-20(14)32/h1-6,9-10,14H,7-8H2,(H2,25,31)(H,26,32)(H,28,29,30)/t14-/m0/s1
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| InChIKey |
AEOJAAYXUVZZMW-AWEZNQCLSA-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