General Information of the Compound
| Compound ID |
CP0524681
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| Compound Name |
4,4,5,5,5-pentafluoropentyl 3-[[3,3-diphenylpropyl(2-morpholin-4-ylethyl)carbamoyl]amino]benzoate
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| Structure |
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| Formula |
C34H38F5N3O4
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| Molecular Weight |
647.685
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| Canonical SMILES |
FC(F)(F)C(F)(F)CCCOC(=O)c1cccc(NC(=O)N(CCC(c2ccccc2)c2ccccc2)CCN2CCOCC2)c1
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| InChI |
InChI=1S/C34H38F5N3O4/c35-33(36,34(37,38)39)16-8-22-46-31(43)28-13-7-14-29(25-28)40-32(44)42(19-18-41-20-23-45-24-21-41)17-15-30(26-9-3-1-4-10-26)27-11-5-2-6-12-27/h1-7,9-14,25,30H,8,15-24H2,(H,40,44)
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| InChIKey |
NBMYDFZOWOQBQJ-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