General Information of the Compound
| Compound ID |
CP0433282
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| Compound Name |
N-[3-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-3-oxopropyl]-3-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C22H23ClF3N3O2
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| Molecular Weight |
453.892
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| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)NCCC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1
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| InChI |
InChI=1S/C22H23ClF3N3O2/c23-18-6-4-15(5-7-18)13-29-11-9-19(14-29)28-20(30)8-10-27-21(31)16-2-1-3-17(12-16)22(24,25)26/h1-7,12,19H,8-11,13-14H2,(H,27,31)(H,28,30)/t19-/m1/s1
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| InChIKey |
IMPXWEUBKJOKBW-LJQANCHMSA-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