General Information of the Compound
| Compound ID |
CP0173498
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| Compound Name |
2,7,7-trimethyl-9-(1-oxo-3,4-dihydro-2H-isoquinolin-6-yl)-3,4,6,8-tetrahydro-1H-pyrido[3,4-b]indol-5-one
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| Structure |
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| Formula |
C23H27N3O2
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| Molecular Weight |
377.488
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| Canonical SMILES |
CN1CCc2c(C1)n(c1CC(C)(C)CC(=O)c21)-c1ccc2C(=O)NCCc2c1
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| InChI |
InChI=1S/C23H27N3O2/c1-23(2)11-18-21(20(27)12-23)17-7-9-25(3)13-19(17)26(18)15-4-5-16-14(10-15)6-8-24-22(16)28/h4-5,10H,6-9,11-13H2,1-3H3,(H,24,28)
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| InChIKey |
AVFBSMWWJOVYGJ-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