General Information of the Compound
| Compound ID |
CP0470646
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| Compound Name |
US9206164, 97
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| Structure |
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| Formula |
C25H27FN4O2
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| Molecular Weight |
434.515
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| Canonical SMILES |
Cc1nn(Cc2ccc(cc2F)-c2nc3cc(ccc3[nH]2)C(C)(C)C)c(C)c1CC(O)=O
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| InChI |
InChI=1S/C25H27FN4O2/c1-14-19(12-23(31)32)15(2)30(29-14)13-17-7-6-16(10-20(17)26)24-27-21-9-8-18(25(3,4)5)11-22(21)28-24/h6-11H,12-13H2,1-5H3,(H,27,28)(H,31,32)
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| InChIKey |
YWMYRMDBRIKMCE-UHFFFAOYSA-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