General Information of the Compound
| Compound ID |
CP0473455
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| Compound Name |
2-anilino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
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| Structure |
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| Formula |
C26H25F3N2O2
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| Molecular Weight |
454.492
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| Canonical SMILES |
COc1ccccc1C1CCCN1C(=O)C(Nc1ccccc1)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H25F3N2O2/c1-33-23-12-6-5-10-21(23)22-11-7-17-31(22)25(32)24(30-20-8-3-2-4-9-20)18-13-15-19(16-14-18)26(27,28)29/h2-6,8-10,12-16,22,24,30H,7,11,17H2,1H3
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| InChIKey |
AIKKYHIHWVTOMZ-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