General Information of the Compound
| Compound ID |
CP0529589
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| Compound Name |
2-(5-chlorobenzo[b]thiophen-3-yl)-1-(4-phenyl-2-(pyrrolidin-1-ylmethyl)piperazin-1-yl)ethanone
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| Structure |
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| Formula |
C25H28ClN3OS
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| Molecular Weight |
454.039
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| Canonical SMILES |
Clc1ccc2scc(CC(=O)N3CCN(CC3CN3CCCC3)c3ccccc3)c2c1
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| InChI |
InChI=1S/C25H28ClN3OS/c26-20-8-9-24-23(15-20)19(18-31-24)14-25(30)29-13-12-28(21-6-2-1-3-7-21)17-22(29)16-27-10-4-5-11-27/h1-3,6-9,15,18,22H,4-5,10-14,16-17H2
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| InChIKey |
IJYOWWPKHSRVLX-UHFFFAOYSA-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