General Information of the Compound
| Compound ID |
CP0576883
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| Compound Name |
US9199981, F54
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| Structure |
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| Formula |
C26H27F2N5O3
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| Molecular Weight |
495.53
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(CCC(C)(C)O)cn12)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C26H27F2N5O3/c1-15-4-6-17(22-31-24(36-32-22)18-11-26(27,28)12-18)10-19(15)30-23(34)20-13-29-21-7-5-16(14-33(20)21)8-9-25(2,3)35/h4-7,10,13-14,18,35H,8-9,11-12H2,1-3H3,(H,30,34)
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| InChIKey |
BZTQGSHQRMAQQH-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