General Information of the Compound
| Compound ID |
CP0408712
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| Compound Name |
4-(azepane-1-carbonyl)-2-(1-ethyl-2,3-dihydroindol-6-yl)-6,7-dimethoxyisoquinolin-1-one
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| Structure |
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| Formula |
C28H33N3O4
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| Molecular Weight |
475.589
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| Canonical SMILES |
CCN1CCc2ccc(cc12)-n1cc(C(=O)N2CCCCCC2)c2cc(OC)c(OC)cc2c1=O
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| InChI |
InChI=1S/C28H33N3O4/c1-4-29-14-11-19-9-10-20(15-24(19)29)31-18-23(27(32)30-12-7-5-6-8-13-30)21-16-25(34-2)26(35-3)17-22(21)28(31)33/h9-10,15-18H,4-8,11-14H2,1-3H3
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| InChIKey |
QSTQZUZCQAPQNJ-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