General Information of the Compound
| Compound ID |
CP0487170
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| Compound Name |
US9206173, 2490
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| Structure |
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| Formula |
C25H24FN5O4
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| Molecular Weight |
477.496
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| Canonical SMILES |
CCOc1ccc(CNc2nc3CCN(Cc3c(=O)n2OC)C(=O)c2ccc(cc2F)C#N)cc1
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| InChI |
InChI=1S/C25H24FN5O4/c1-3-35-18-7-4-16(5-8-18)14-28-25-29-22-10-11-30(15-20(22)24(33)31(25)34-2)23(32)19-9-6-17(13-27)12-21(19)26/h4-9,12H,3,10-11,14-15H2,1-2H3,(H,28,29)
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| InChIKey |
VUDHWWINOFDQDT-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