General Information of the Compound
| Compound ID |
CP0243743
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| Compound Name |
US9085576, 378
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| Structure |
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| Formula |
C19H18ClF3N4O
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| Molecular Weight |
410.827
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| Canonical SMILES |
C[C@@H](Nc1ccc(F)c(c1)[C@]1(N=C(N)O[C@@H]2C[C@H]12)C(F)F)c1ccc(Cl)cn1
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| InChI |
InChI=1S/C19H18ClF3N4O/c1-9(15-5-2-10(20)8-25-15)26-11-3-4-14(21)12(6-11)19(17(22)23)13-7-16(13)28-18(24)27-19/h2-6,8-9,13,16-17,26H,7H2,1H3,(H2,24,27)/t9-,13+,16-,19-/m1/s1
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| InChIKey |
URMHMSCMGWZVRD-WCSJZASUSA-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