General Information of the Compound
| Compound ID |
CP0456926
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| Compound Name |
(2aS,7aS)-2-((R)-2-methoxymethyl-pyrrolidin-1-yl)-2aH-7-thia-cyclobuta[a]indene-1,7a-dicarboxylic acid dimethyl ester
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| Structure |
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| Formula |
C20H23NO5S
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| Molecular Weight |
389.473
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| Canonical SMILES |
COC[C@H]1CCCN1C1=C(C(=O)OC)[C@]2(Sc3ccccc3[C@@H]12)C(=O)OC
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| InChI |
InChI=1S/C20H23NO5S/c1-24-11-12-7-6-10-21(12)17-15-13-8-4-5-9-14(13)27-20(15,19(23)26-3)16(17)18(22)25-2/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3/t12-,15+,20+/m1/s1
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| InChIKey |
UNAMQNCWXYHUFL-RAJNIJHNSA-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