General Information of the Compound
| Compound ID |
CP0894630
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| Compound Name |
(6aR)-2-(2-carboxyethylthio)-10,11-dihydroxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium chloride
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| Structure |
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| Formula |
C20H22ClNO4S
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| Molecular Weight |
407.919
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| Canonical SMILES |
CN1CCc2cc(SCCC(=O)O)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3.Cl
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| InChI |
InChI=1S/C20H21NO4S.ClH/c1-21-6-4-12-8-13(26-7-5-17(23)24)10-14-18(12)15(21)9-11-2-3-16(22)20(25)19(11)14;/h2-3,8,10,15,22,25H,4-7,9H2,1H3,(H,23,24);1H/t15-;/m1./s1
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| InChIKey |
NPMZKCWNYFCFDT-XFULWGLBSA-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