General Information of the Compound
| Compound ID |
CP0332826
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| Compound Name |
(E)-6-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyleneamino)-2,3-dihydro-1H-inden-1-yl acetate
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| Formula |
C23H26N2O4
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| Molecular Weight |
394.471
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| Canonical SMILES |
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCC(OC(C)=O)c2c1
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| InChI |
InChI=1S/C23H26N2O4/c1-15(26)29-21-7-5-16-4-6-19(12-20(16)21)24-14-25-9-8-17-10-22(27-2)23(28-3)11-18(17)13-25/h4,6,10-12,14,21H,5,7-9,13H2,1-3H3/b24-14+
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| InChIKey |
FJNBHLSWNGPZQQ-ZVHZXABRSA-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