General Information of the Compound
| Compound ID |
CP0506578
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| Compound Name |
3-[1-Oxo-5-(4-trifluoromethyl-phenyl)-1,3-dihydro-isoindol-2-yl]-pyrrolidine-1-carboxylic acid methyl-[1-(3-phenyl-propyl)-pyrrolidin-3-yl]-amide
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| Structure |
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| Formula |
C34H37F3N4O2
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| Molecular Weight |
590.69
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| Canonical SMILES |
CN(C1CCN(CCCc2ccccc2)C1)C(=O)N1CCC(C1)N1Cc2cc(ccc2C1=O)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C34H37F3N4O2/c1-38(29-15-18-39(22-29)17-5-8-24-6-3-2-4-7-24)33(43)40-19-16-30(23-40)41-21-27-20-26(11-14-31(27)32(41)42)25-9-12-28(13-10-25)34(35,36)37/h2-4,6-7,9-14,20,29-30H,5,8,15-19,21-23H2,1H3
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| InChIKey |
TYCHPBQYNABPSC-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