General Information of the Compound
| Compound ID |
CP0559407
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| Compound Name |
US9199981, F51
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| Structure |
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| Formula |
C29H27F3N8O3
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| Molecular Weight |
592.582
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| Canonical SMILES |
Fc1ccc(cc1NC(=O)c1cnc2ccc(cn12)-c1cnn(CCN2CCOCC2)c1)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C29H27F3N8O3/c30-22-3-1-18(26-36-28(43-37-26)20-12-29(31,32)13-20)11-23(22)35-27(41)24-15-33-25-4-2-19(17-40(24)25)21-14-34-39(16-21)6-5-38-7-9-42-10-8-38/h1-4,11,14-17,20H,5-10,12-13H2,(H,35,41)
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| InChIKey |
VWLGANZUNCNMJP-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