General Information of the Compound
| Compound ID |
CP0418101
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| Compound Name |
US9206164, 5
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| Structure |
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| Formula |
C23H19F4N3O2
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| Molecular Weight |
445.416
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| Canonical SMILES |
Cc1nn(Cc2ccc(cc2F)-c2cc3ccc(cc3[nH]2)C(F)(F)F)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C23H19F4N3O2/c1-12-18(10-22(31)32)13(2)30(29-12)11-16-4-3-14(7-19(16)24)20-8-15-5-6-17(23(25,26)27)9-21(15)28-20/h3-9,28H,10-11H2,1-2H3,(H,31,32)
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| InChIKey |
CVEZWGPUMKBEEW-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