General Information of the Compound
| Compound ID |
CP0509229
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| Compound Name |
US9216968, 78
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| Structure |
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| Formula |
C27H24ClF3N4O3
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| Molecular Weight |
544.961
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| Canonical SMILES |
CCOCCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1cccc(Cl)c1C
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| InChI |
InChI=1S/C27H24ClF3N4O3/c1-3-38-12-11-23-33-22-14-16(32-25(36)17-7-4-5-8-19(17)27(29,30)31)13-18(24(22)35-23)26(37)34-21-10-6-9-20(28)15(21)2/h4-10,13-14H,3,11-12H2,1-2H3,(H,32,36)(H,33,35)(H,34,37)
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| InChIKey |
WSHCPLGIRFRFOS-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