General Information of the Compound
| Compound ID |
CP0443084
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| Compound Name |
US9163011, 13
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| Structure |
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| Formula |
C18H18F3N5O3
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| Molecular Weight |
409.368
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| Canonical SMILES |
COc1cnc(C(=O)Nc2ccc(F)c(n2)[C@@]2(C)N=C(N)OCC2(F)F)c(C)c1
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| InChI |
InChI=1S/C18H18F3N5O3/c1-9-6-10(28-3)7-23-13(9)15(27)25-12-5-4-11(19)14(24-12)17(2)18(20,21)8-29-16(22)26-17/h4-7H,8H2,1-3H3,(H2,22,26)(H,24,25,27)/t17-/m1/s1
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| InChIKey |
QOCIHSUXWNYFHI-QGZVFWFLSA-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