General Information of the Compound
| Compound ID |
CP0453738
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| Compound Name |
(S,S)-dimethyl-1-(1-piperidynyl)cyclobuta[b][1]benzothiophene-2,2a(7bH)-dicarboxylate
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| Structure |
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| Formula |
C18H19NO4S
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| Molecular Weight |
345.42
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| Canonical SMILES |
COC(=O)C1=C([C@@H]2c3ccccc3S[C@]12C(=O)OC)N1CCCC1
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| InChI |
InChI=1S/C18H19NO4S/c1-22-16(20)14-15(19-9-5-6-10-19)13-11-7-3-4-8-12(11)24-18(13,14)17(21)23-2/h3-4,7-8,13H,5-6,9-10H2,1-2H3/t13-,18-/m0/s1
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| InChIKey |
WEPFRJIQIIGTEM-UGSOOPFHSA-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