General Information of the Compound
| Compound ID |
CP0967487
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| Compound Name |
3-(1-Aminomethyl-6,7-dimethoxy-isoquinolin-4-yl)-propionic acid ethyl ester TFA
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| Structure |
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| Formula |
C19H23F3N2O6
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| Molecular Weight |
432.395
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| Canonical SMILES |
CCOC(=O)CCc1cnc(CN)c2cc(OC)c(OC)cc12.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C17H22N2O4.C2HF3O2/c1-4-23-17(20)6-5-11-10-19-14(9-18)13-8-16(22-3)15(21-2)7-12(11)13;3-2(4,5)1(6)7/h7-8,10H,4-6,9,18H2,1-3H3;(H,6,7)
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| InChIKey |
JZSKYZDSSJNWLS-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