General Information of the Compound
| Compound ID |
CP0868015
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| Compound Name |
methyl 6-(3-(dimethylamino)propyl)-5,11-dioxo-6,11-dihydro-5H-indeno[1,2-c]isoquinoline-3-carboxylate Hydrochloride
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| Structure |
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| Formula |
C23H23ClN2O4
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| Molecular Weight |
426.9
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| Canonical SMILES |
COC(=O)c1ccc2c3c(n(CCCN(C)C)c(=O)c2c1)-c1ccccc1C3=O.Cl
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| InChI |
InChI=1S/C23H22N2O4.ClH/c1-24(2)11-6-12-25-20-16-7-4-5-8-17(16)21(26)19(20)15-10-9-14(23(28)29-3)13-18(15)22(25)27;/h4-5,7-10,13H,6,11-12H2,1-3H3;1H
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| InChIKey |
AECAMXFZXFTMSH-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