General Information of the Compound
| Compound ID |
CP0538532
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| Compound Name |
N-[2-[[(3R)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C21H21ClF3N3O2
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| Molecular Weight |
439.865
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccccc2Cl)C1
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| InChI |
InChI=1S/C21H21ClF3N3O2/c22-18-7-2-1-4-15(18)12-28-9-8-17(13-28)27-19(29)11-26-20(30)14-5-3-6-16(10-14)21(23,24)25/h1-7,10,17H,8-9,11-13H2,(H,26,30)(H,27,29)/t17-/m1/s1
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| InChIKey |
GROJRJSDQTZSOV-QGZVFWFLSA-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