General Information of the Compound
| Compound ID |
CP0517106
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| Compound Name |
US9340500, I-008
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| Structure |
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| Formula |
C27H30F3N3O
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| Molecular Weight |
469.551
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1CCCN1CCCCC1)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C27H30F3N3O/c1-20-24(26(34)31-23-13-8-12-22(18-23)27(28,29)30)19-25(21-10-4-2-5-11-21)33(20)17-9-16-32-14-6-3-7-15-32/h2,4-5,8,10-13,18-19H,3,6-7,9,14-17H2,1H3,(H,31,34)
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| InChIKey |
FDXOSOUYTCWDST-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