General Information of the Compound
| Compound ID |
CP0469617
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| Compound Name |
US10300060, Example 13-1
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| Structure |
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| Formula |
C27H20ClF3N8O2
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| Molecular Weight |
580.958
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| Canonical SMILES |
Cn1nccc1-c1ccc(cc1NC(=O)Nc1cnc(Oc2ccc(cc2)-c2cc(Cl)cnc2N)nc1)C(F)(F)F
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| InChI |
InChI=1S/C27H20ClF3N8O2/c1-39-23(8-9-36-39)20-7-4-16(27(29,30)31)10-22(20)38-25(40)37-18-13-34-26(35-14-18)41-19-5-2-15(3-6-19)21-11-17(28)12-33-24(21)32/h2-14H,1H3,(H2,32,33)(H2,37,38,40)
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| InChIKey |
ODMVGQCZFQCEDV-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