General Information of the Compound
| Compound ID |
CP0858842
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| Compound Name |
2-(5-chlorobenzo[b]thiophen-3-yl)-1-(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)ethanone
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| Structure |
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| Formula |
C19H23ClN2OS
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| Molecular Weight |
362.926
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| Canonical SMILES |
O=C(Cc1csc2ccc(Cl)cc12)N1CCCC1CN1CCCC1
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| InChI |
InChI=1S/C19H23ClN2OS/c20-15-5-6-18-17(11-15)14(13-24-18)10-19(23)22-9-3-4-16(22)12-21-7-1-2-8-21/h5-6,11,13,16H,1-4,7-10,12H2
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| InChIKey |
RUGXRWCCEVNEOK-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