General Information of the Compound
| Compound ID |
CP0545820
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| Compound Name |
N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]-4-[[4-(trifluoromethyl)phenoxy]methyl]benzamide
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| Structure |
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| Formula |
C25H30F3N3O2
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| Molecular Weight |
461.528
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| Canonical SMILES |
CN1CCC(CC1)N1CC[C@@H](C1)NC(=O)c1ccc(COc2ccc(cc2)C(F)(F)F)cc1
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| InChI |
InChI=1S/C25H30F3N3O2/c1-30-13-11-22(12-14-30)31-15-10-21(16-31)29-24(32)19-4-2-18(3-5-19)17-33-23-8-6-20(7-9-23)25(26,27)28/h2-9,21-22H,10-17H2,1H3,(H,29,32)/t21-/m0/s1
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| InChIKey |
RVRQRQKTOQUXNF-NRFANRHFSA-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