General Information of the Compound
| Compound ID |
CP0576399
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| Compound Name |
US9278960, 3-41
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| Structure |
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| Formula |
C29H25FN4O
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| Molecular Weight |
464.544
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| Canonical SMILES |
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(nc4ccccc34)C3CCCC3)cc2n1
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| InChI |
InChI=1S/C29H25FN4O/c30-21-12-10-19(11-13-21)23-16-26(28(31)35)32-25-15-18(9-14-22(23)25)17-34-27-8-4-3-7-24(27)33-29(34)20-5-1-2-6-20/h3-4,7-16,20H,1-2,5-6,17H2,(H2,31,35)
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| InChIKey |
YAIMDSUHHAEJHD-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