General Information of the Compound
| Compound ID |
CP0561344
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| Compound Name |
US9206173, 2468
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| Structure |
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| Formula |
C26H24F3N5O4
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| Molecular Weight |
527.503
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| Canonical SMILES |
COn1c(NC(C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)COc1ccc(cc1)C#N
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| InChI |
InChI=1S/C26H24F3N5O4/c1-16(18-5-7-19(8-6-18)26(27,28)29)31-25-32-22-11-12-33(14-21(22)24(36)34(25)37-2)23(35)15-38-20-9-3-17(13-30)4-10-20/h3-10,16H,11-12,14-15H2,1-2H3,(H,31,32)
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| InChIKey |
XYQWZNLPGCRSKQ-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