General Information of the Compound
| Compound ID |
CP0893195
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| Compound Name |
3-(2-Aminoethyl)-6-chloro-2-methyl-4-phenylisoquinolin-1(2H)-one hydrochloride
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| Structure |
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| Formula |
C18H18Cl2N2O
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| Molecular Weight |
349.261
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| Canonical SMILES |
Cl.Cn1c(CCN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O
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| InChI |
InChI=1S/C18H17ClN2O.ClH/c1-21-16(9-10-20)17(12-5-3-2-4-6-12)15-11-13(19)7-8-14(15)18(21)22;/h2-8,11H,9-10,20H2,1H3;1H
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| InChIKey |
UXIKTYLUYCUOOW-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