General Information of the Compound
| Compound ID |
CP0542223
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| Compound Name |
US9206173, 2459
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| Structure |
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| Formula |
C26H25F3N4O5
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| Molecular Weight |
530.503
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| Canonical SMILES |
COn1c(NC(C)c2ccc(cc2)C(F)(F)F)nc2CCN(Cc2c1=O)C(=O)c1ccc2OCCOc2c1
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| InChI |
InChI=1S/C26H25F3N4O5/c1-15(16-3-6-18(7-4-16)26(27,28)29)30-25-31-20-9-10-32(14-19(20)24(35)33(25)36-2)23(34)17-5-8-21-22(13-17)38-12-11-37-21/h3-8,13,15H,9-12,14H2,1-2H3,(H,30,31)
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| InChIKey |
KPRNHGCGHVUBMU-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