General Information of the Compound
| Compound ID |
CP0518236
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| Compound Name |
US9216968, 224
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| Structure |
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| Formula |
C26H20F3N5O3
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| Molecular Weight |
507.472
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| Canonical SMILES |
COCc1nc2c(cc(NC(=O)c3ccccc3C(F)(F)F)cc2[nH]1)C(=O)Nc1ccc2[nH]ccc2c1
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| InChI |
InChI=1S/C26H20F3N5O3/c1-37-13-22-33-21-12-16(32-24(35)17-4-2-3-5-19(17)26(27,28)29)11-18(23(21)34-22)25(36)31-15-6-7-20-14(10-15)8-9-30-20/h2-12,30H,13H2,1H3,(H,31,36)(H,32,35)(H,33,34)
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| InChIKey |
ZROXIEHEELLDRF-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