General Information of the Compound
| Compound ID |
CP0902675
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| Compound Name |
2-(5-methylbenzo[b]thiophen-3-yl)-1-((2R,3R)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C27H32N2OS
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| Molecular Weight |
432.633
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| Canonical SMILES |
Cc1ccc2scc(CC(=O)N3CCC[C@H](c4ccccc4)[C@@H]3CN3CCCC3)c2c1
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| InChI |
InChI=1S/C27H32N2OS/c1-20-11-12-26-24(16-20)22(19-31-26)17-27(30)29-15-7-10-23(21-8-3-2-4-9-21)25(29)18-28-13-5-6-14-28/h2-4,8-9,11-12,16,19,23,25H,5-7,10,13-15,17-18H2,1H3/t23-,25+/m1/s1
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| InChIKey |
LTGGFYHDQGKFSS-NOZRDPDXSA-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