General Information of the Compound
| Compound ID |
CP0501682
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| Compound Name |
2-(3,4-difluorophenoxy)-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)pyrrolidin-3-yl)acetamide
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| Structure |
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| Formula |
C24H22F5N3O2
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| Molecular Weight |
479.449
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| Canonical SMILES |
Fc1ccc(OCC(=O)NC2CCN(Cc3ccn(c3)-c3ccc(cc3)C(F)(F)F)C2)cc1F
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| InChI |
InChI=1S/C24H22F5N3O2/c25-21-6-5-20(11-22(21)26)34-15-23(33)30-18-8-9-31(14-18)12-16-7-10-32(13-16)19-3-1-17(2-4-19)24(27,28)29/h1-7,10-11,13,18H,8-9,12,14-15H2,(H,30,33)
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| InChIKey |
VZMILDAGQMGANU-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