General Information of the Compound
| Compound ID |
CP0376055
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| Compound Name |
N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-3-thiophen-2-ylbenzamide
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| Structure |
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| Formula |
C22H21ClN2OS
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| Molecular Weight |
396.943
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| Canonical SMILES |
Clc1ccc(CN2CC[C@@H](C2)NC(=O)c2cccc(c2)-c2cccs2)cc1
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| InChI |
InChI=1S/C22H21ClN2OS/c23-19-8-6-16(7-9-19)14-25-11-10-20(15-25)24-22(26)18-4-1-3-17(13-18)21-5-2-12-27-21/h1-9,12-13,20H,10-11,14-15H2,(H,24,26)/t20-/m0/s1
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| InChIKey |
RYARMHWUXSXRLV-FQEVSTJZSA-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