General Information of the Compound
| Compound ID |
CP0446037
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| Compound Name |
(R,R/S,S)-2-pyrrolidin-1-yl-2aH-7-thia-cyclobuta[a]indene-1,7a-dicarboxylic acid diethyl ester
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| Structure |
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| Formula |
C20H23NO4S
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| Molecular Weight |
373.474
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| Canonical SMILES |
CCOC(=O)C1=C(C2c3ccccc3SC12C(=O)OCC)N1CCCC1
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| InChI |
InChI=1S/C20H23NO4S/c1-3-24-18(22)16-17(21-11-7-8-12-21)15-13-9-5-6-10-14(13)26-20(15,16)19(23)25-4-2/h5-6,9-10,15H,3-4,7-8,11-12H2,1-2H3
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| InChIKey |
DOTGVUGSQYURGA-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