General Information of the Compound
| Compound ID |
CP0877785
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| Compound Name |
4-(6,7-Dimethoxy-1-oxo-1H-isoquinolin-2-yl)-butyric acid 2-morpholin-4-yl-ethyl ester hydrochloride
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| Structure |
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| Formula |
C21H29ClN2O6
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| Molecular Weight |
440.924
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| Canonical SMILES |
COc1cc2ccn(CCCC(=O)OCCN3CCOCC3)c(=O)c2cc1OC.Cl
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| InChI |
InChI=1S/C21H28N2O6.ClH/c1-26-18-14-16-5-7-23(21(25)17(16)15-19(18)27-2)6-3-4-20(24)29-13-10-22-8-11-28-12-9-22;/h5,7,14-15H,3-4,6,8-13H2,1-2H3;1H
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| InChIKey |
MFTMXSGUDUPUSM-UHFFFAOYSA-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