General Information of the Compound
| Compound ID |
CP0554190
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| Compound Name |
US9062048, 16
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| Formula |
C23H27F3N6O3
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| Molecular Weight |
492.502
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| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@@H](CC3)C3COC(=O)N3)c2c1
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| InChI |
InChI=1S/C23H27F3N6O3/c24-23(25,26)14-3-6-18-17(7-14)21(29-12-28-18)27-8-20(33)30-15-9-32(10-15)16-4-1-13(2-5-16)19-11-35-22(34)31-19/h3,6-7,12-13,15-16,19H,1-2,4-5,8-11H2,(H,30,33)(H,31,34)(H,27,28,29)/t13-,16+,19?
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| InChIKey |
UGWQDOISEYOIEA-CNWIXYDXSA-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