General Information of the Compound
| Compound ID |
CP0824113
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| Compound Name |
(2E)-3-[3-(Aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]prop-2-enamide hydrochloride
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| Structure |
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| Formula |
C23H26ClN3O2
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| Molecular Weight |
411.933
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| Canonical SMILES |
CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(/C=C/C(N)=O)ccc2c1=O.Cl
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| InChI |
InChI=1S/C23H25N3O2.ClH/c1-15(2)14-26-20(13-24)22(17-6-4-3-5-7-17)19-12-16(9-11-21(25)27)8-10-18(19)23(26)28;/h3-12,15H,13-14,24H2,1-2H3,(H2,25,27);1H/b11-9+;
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| InChIKey |
COYJMGWSZHWPCJ-LBEJWNQZSA-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