General Information of the Compound
| Compound ID |
CP0526102
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| Compound Name |
US9340500, I-006
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| Structure |
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| Formula |
C22H21F3N2O2
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| Molecular Weight |
402.416
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| Canonical SMILES |
Cc1c(cc(-c2ccccc2)n1CCCO)C(=O)Nc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H21F3N2O2/c1-15-19(21(29)26-18-10-5-9-17(13-18)22(23,24)25)14-20(27(15)11-6-12-28)16-7-3-2-4-8-16/h2-5,7-10,13-14,28H,6,11-12H2,1H3,(H,26,29)
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| InChIKey |
URPXIKPBWCUEEP-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