General Information of the Compound
| Compound ID |
CP0555589
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| Compound Name |
US9062048, 60
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| Formula |
C27H27F3N6O2
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| Molecular Weight |
524.547
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| Canonical SMILES |
FC(F)(F)c1ccc2nc(cc(NCC(=O)NC3CN(C3)[C@H]3CC[C@H](CC3)n3ccccc3=O)c2c1)C#N
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| InChI |
InChI=1S/C27H27F3N6O2/c28-27(29,30)17-4-9-23-22(11-17)24(12-18(13-31)33-23)32-14-25(37)34-19-15-35(16-19)20-5-7-21(8-6-20)36-10-2-1-3-26(36)38/h1-4,9-12,19-21H,5-8,14-16H2,(H,32,33)(H,34,37)/t20-,21+
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| InChIKey |
XZJOLJYHGWTITC-OYRHEFFESA-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