General Information of the Compound
| Compound ID |
CP0550551
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| Compound Name |
US9062048, 54
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| Formula |
C26H33F3N6O2
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| Molecular Weight |
518.584
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| Canonical SMILES |
FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)[C@@H]3CC[C@H](CN4CCCCC4=O)CC3)c2c1
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| InChI |
InChI=1S/C26H33F3N6O2/c27-26(28,29)18-6-9-22-21(11-18)25(32-16-31-22)30-12-23(36)33-19-14-35(15-19)20-7-4-17(5-8-20)13-34-10-2-1-3-24(34)37/h6,9,11,16-17,19-20H,1-5,7-8,10,12-15H2,(H,33,36)(H,30,31,32)/t17-,20+
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| InChIKey |
NVQXNCCSCBQYAF-MSEWRSJXSA-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