General Information of the Compound
| Compound ID |
CP0921539
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| Compound Name |
(2S,3R,4R)-3,4-dihydroxy-2,4-dimethyl-3,4-dihydro-2H-pyrimido[2,1-a]isoquinolin-1-ium-2-carboxylate
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| Structure |
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| Formula |
C15H16N2O4
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| Molecular Weight |
288.303
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| Canonical SMILES |
C[C@]1(C(=O)O)N=C2c3ccccc3C=CN2[C@](C)(O)[C@@H]1O
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| InChI |
InChI=1S/C15H16N2O4/c1-14(13(19)20)12(18)15(2,21)17-8-7-9-5-3-4-6-10(9)11(17)16-14/h3-8,12,18,21H,1-2H3,(H,19,20)/t12-,14+,15-/m1/s1
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| InChIKey |
LNMASGINKJPCND-VHDGCEQUSA-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