General Information of the Compound
| Compound ID |
CP0955432
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| Compound Name |
2-(5-chlorobenzo[b]thiophen-3-yl)-1-(3-(pyrrolidin-1-ylmethyl)morpholino)ethanone
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| Structure |
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| Formula |
C19H23ClN2O2S
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| Molecular Weight |
378.925
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| Canonical SMILES |
O=C(Cc1csc2ccc(Cl)cc12)N1CCOCC1CN1CCCC1
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| InChI |
InChI=1S/C19H23ClN2O2S/c20-15-3-4-18-17(10-15)14(13-25-18)9-19(23)22-7-8-24-12-16(22)11-21-5-1-2-6-21/h3-4,10,13,16H,1-2,5-9,11-12H2
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| InChIKey |
NMDOKBYNDWZGJE-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