General Information of the Compound
| Compound ID |
CP0577734
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| Compound Name |
US9199981, F44
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| Structure |
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| Formula |
C28H27F2N7O3
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| Molecular Weight |
547.566
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| Canonical SMILES |
Cc1ccc(cc1NC(=O)c1cnc2ccc(cn12)-c1cnn(CC(C)(C)O)c1)-c1noc(n1)C1CC(F)(F)C1
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| InChI |
InChI=1S/C28H27F2N7O3/c1-16-4-5-17(24-34-26(40-35-24)19-9-28(29,30)10-19)8-21(16)33-25(38)22-12-31-23-7-6-18(14-37(22)23)20-11-32-36(13-20)15-27(2,3)39/h4-8,11-14,19,39H,9-10,15H2,1-3H3,(H,33,38)
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| InChIKey |
LSWXHHBJJIGZTD-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