General Information of the Compound
| Compound ID |
CP0390558
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| Compound Name |
3-thiophen-2-yl-N-[(3S)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]benzamide
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| Structure |
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| Formula |
C23H21F3N2O2S
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| Molecular Weight |
446.494
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| Canonical SMILES |
FC(F)(F)Oc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
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| InChI |
InChI=1S/C23H21F3N2O2S/c24-23(25,26)30-20-8-6-16(7-9-20)14-28-11-10-19(15-28)27-22(29)18-4-1-3-17(13-18)21-5-2-12-31-21/h1-9,12-13,19H,10-11,14-15H2,(H,27,29)/t19-/m0/s1
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| InChIKey |
JGCWMKASUYCMGE-IBGZPJMESA-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
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01161, D(4) dopamine receptor