General Information of the Compound
| Compound ID |
CP0538453
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| Compound Name |
(2aS,7aS)-2-((R)-2-methyl-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 |
C19H21NO4S
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| Molecular Weight |
359.447
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| Canonical SMILES |
COC(=O)C1=C([C@@H]2c3ccccc3S[C@]12C(=O)OC)N1CCC[C@H]1C
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| InChI |
InChI=1S/C19H21NO4S/c1-11-7-6-10-20(11)16-14-12-8-4-5-9-13(12)25-19(14,18(22)24-3)15(16)17(21)23-2/h4-5,8-9,11,14H,6-7,10H2,1-3H3/t11-,14+,19+/m1/s1
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| InChIKey |
KUBUYDVTPCZEOX-WQBCIRTESA-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