General Information of the Compound
| Compound ID |
CP0895090
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| Compound Name |
(7aR)-11,12-dihydroxy-7-methyl-4-oxo-2,3,4,5,6,7,7a,8-octahydrobenzo[g]thiochromeno[5,6,7-de]quinolin-7-ium chloride
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| Structure |
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| Formula |
C20H20ClNO3S
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| Molecular Weight |
389.904
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| Canonical SMILES |
CN1CCc2c3c(cc4c2[C@H]1Cc1ccc(O)c(O)c1-4)SCCC3=O.Cl
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| InChI |
InChI=1S/C20H19NO3S.ClH/c1-21-6-4-11-18-12(9-16-19(11)14(22)5-7-25-16)17-10(8-13(18)21)2-3-15(23)20(17)24;/h2-3,9,13,23-24H,4-8H2,1H3;1H/t13-;/m1./s1
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| InChIKey |
GMYKTVHNWLIJSX-BTQNPOSSSA-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