General Information of the Compound
| Compound ID |
CP0464504
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| Compound Name |
(2aS,7aS)-2-piperidin-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)N1CCCCC1
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| InChI |
InChI=1S/C19H21NO4S/c1-23-17(21)15-16(20-10-6-3-7-11-20)14-12-8-4-5-9-13(12)25-19(14,15)18(22)24-2/h4-5,8-9,14H,3,6-7,10-11H2,1-2H3/t14-,19-/m0/s1
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| InChIKey |
LKDSIRXDWPTAGQ-LIRRHRJNSA-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