General Information of the Compound
| Compound ID |
CP0418100
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| Compound Name |
US9206164, 2
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| Structure |
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| Formula |
C23H20F3N3O2
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| Molecular Weight |
427.426
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| Canonical SMILES |
Cc1nn(Cc2ccc(cc2)-c2cc3cc(ccc3[nH]2)C(F)(F)F)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C23H20F3N3O2/c1-13-19(11-22(30)31)14(2)29(28-13)12-15-3-5-16(6-4-15)21-10-17-9-18(23(24,25)26)7-8-20(17)27-21/h3-10,27H,11-12H2,1-2H3,(H,30,31)
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| InChIKey |
BTWVKQDPACCYPS-UHFFFAOYSA-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