General Information of the Compound
| Compound ID |
CP0332829
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| Compound Name |
(E)-tert-butyl 6-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyleneamino)indoline-1-carboxylate
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| Formula |
C25H31N3O4
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| Molecular Weight |
437.54
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| Canonical SMILES |
COc1cc2CCN(Cc2cc1OC)\C=N\c1ccc2CCN(C(=O)OC(C)(C)C)c2c1
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| InChI |
InChI=1S/C25H31N3O4/c1-25(2,3)32-24(29)28-11-9-17-6-7-20(14-21(17)28)26-16-27-10-8-18-12-22(30-4)23(31-5)13-19(18)15-27/h6-7,12-14,16H,8-11,15H2,1-5H3/b26-16+
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| InChIKey |
VZZJAZOBBQGWCX-WGOQTCKBSA-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