General Information of the Compound
| Compound ID |
CP0519921
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| Compound Name |
US9296734, 11
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| Structure |
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| Formula |
C19H14ClF5N6O
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| Molecular Weight |
472.805
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| Canonical SMILES |
NC1=N[C@@](CF)(C[C@H](O1)C(F)(F)F)c1cc(Nc2ncnc3cc(Cl)cnc23)ccc1F
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| InChI |
InChI=1S/C19H14ClF5N6O/c20-9-3-13-15(27-6-9)16(29-8-28-13)30-10-1-2-12(22)11(4-10)18(7-21)5-14(19(23,24)25)32-17(26)31-18/h1-4,6,8,14H,5,7H2,(H2,26,31)(H,28,29,30)/t14-,18+/m0/s1
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| InChIKey |
CVTKHHCVVGKASF-KBXCAEBGSA-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