General Information of the Compound
| Compound ID |
CP0555620
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| Compound Name |
US9481682, 117
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| Structure |
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| Formula |
C28H23F3N8O2
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| Molecular Weight |
560.54
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(c(cn3)C#N)C(F)(F)F)c12)[C@@H]1CC[C@H]2CCC(=O)N2C1
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| InChI |
InChI=1S/C28H23F3N8O2/c29-28(30,31)20-11-21(35-13-18(20)12-32)36-27(41)16-3-1-15(2-4-16)23-24-25(33)34-9-10-38(24)26(37-23)17-5-6-19-7-8-22(40)39(19)14-17/h1-4,9-11,13,17,19H,5-8,14H2,(H2,33,34)(H,35,36,41)/t17-,19+/m1/s1
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| InChIKey |
JNSFFGWQPFAGNH-MJGOQNOKSA-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