General Information of the Compound
| Compound ID |
CP0942242
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| Compound Name |
2-(5-chlorobenzo[b]thiophen-3-yl)-1-((2S,3S)-3-phenyl-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl)ethanone
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| Structure |
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| Formula |
C26H29ClN2OS
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| Molecular Weight |
453.051
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| Canonical SMILES |
O=C(Cc1csc2ccc(Cl)cc12)N1CCC[C@@H](c2ccccc2)[C@H]1CN1CCCC1
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| InChI |
InChI=1S/C26H29ClN2OS/c27-21-10-11-25-23(16-21)20(18-31-25)15-26(30)29-14-6-9-22(19-7-2-1-3-8-19)24(29)17-28-12-4-5-13-28/h1-3,7-8,10-11,16,18,22,24H,4-6,9,12-15,17H2/t22-,24+/m0/s1
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| InChIKey |
QHWIORVFWIPRAT-LADGPHEKSA-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