General Information of the Compound
| Compound ID |
CP0922380
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| Compound Name |
2-(5-chlorobenzo[b]thiophen-3-yl)-1-(2-((4-methylpiperazin-1-yl)methyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C21H28ClN3OS
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| Molecular Weight |
405.995
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| Canonical SMILES |
CN1CCN(CC2CCCCN2C(=O)Cc2csc3ccc(Cl)cc23)CC1
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| InChI |
InChI=1S/C21H28ClN3OS/c1-23-8-10-24(11-9-23)14-18-4-2-3-7-25(18)21(26)12-16-15-27-20-6-5-17(22)13-19(16)20/h5-6,13,15,18H,2-4,7-12,14H2,1H3
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| InChIKey |
UUTHLQDFXZRFKP-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