General Information of the Compound
| Compound ID |
CP0507358
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| Compound Name |
US9481682, 78
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| Formula |
C28H24F3N9O
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| Molecular Weight |
559.556
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| Canonical SMILES |
Nc1nccn2c(nc(-c3ccc(cc3)C(=O)Nc3cc(ccn3)C(F)(F)F)c12)[C@@H]1CC[C@H]2CC\C(=N/C#N)N2C1
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| InChI |
InChI=1S/C28H24F3N9O/c29-28(30,31)19-9-10-34-21(13-19)37-27(41)17-3-1-16(2-4-17)23-24-25(33)35-11-12-39(24)26(38-23)18-5-6-20-7-8-22(36-15-32)40(20)14-18/h1-4,9-13,18,20H,5-8,14H2,(H2,33,35)(H,34,37,41)/b36-22+/t18-,20+/m1/s1
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| InChIKey |
ADUZBDAJVOVWMG-CUYPQXMXSA-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