General Information of the Compound
| Compound ID |
CP0445189
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| Compound Name |
US9340500, I-082
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| Structure |
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| Formula |
C26H28F3N3O2
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| Molecular Weight |
471.523
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| Canonical SMILES |
Cc1c(NC(=O)c2cccc(c2)C(F)(F)F)cc(-c2ccccc2)n1CCCN1CCOCC1
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| InChI |
InChI=1S/C26H28F3N3O2/c1-19-23(30-25(33)21-9-5-10-22(17-21)26(27,28)29)18-24(20-7-3-2-4-8-20)32(19)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17-18H,6,11-16H2,1H3,(H,30,33)
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| InChIKey |
SQVOFYMJZWKSKL-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