General Information of the Compound
| Compound ID |
CP0477231
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| Compound Name |
US9085576, 63
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| Structure |
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| Formula |
C19H18F3N5O3
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| Molecular Weight |
421.379
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| Canonical SMILES |
COc1cnc(C(=O)Nc2ccc(F)c(c2)[C@]2(N=C(N)O[C@@H]3C[C@H]23)C(F)F)c(C)n1
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| InChI |
InChI=1S/C19H18F3N5O3/c1-8-15(24-7-14(25-8)29-2)16(28)26-9-3-4-12(20)10(5-9)19(17(21)22)11-6-13(11)30-18(23)27-19/h3-5,7,11,13,17H,6H2,1-2H3,(H2,23,27)(H,26,28)/t11-,13+,19+/m0/s1
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| InChIKey |
KNLYATVYPPDCEE-CENXUZMRSA-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