General Information of the Compound
| Compound ID |
CP0401249
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| Compound Name |
(6aR,9R)-N9,N9-diethyl-N7-(3,4,5-trimethoxyphenyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7,9(4H)-dicarboxamide
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| Structure |
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| Formula |
C29H34N4O5
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| Molecular Weight |
518.614
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| Canonical SMILES |
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C29H34N4O5/c1-6-32(7-2)28(34)18-11-21-20-9-8-10-22-26(20)17(15-30-22)12-23(21)33(16-18)29(35)31-19-13-24(36-3)27(38-5)25(14-19)37-4/h8-11,13-15,18,23,30H,6-7,12,16H2,1-5H3,(H,31,35)/t18-,23-/m1/s1
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| InChIKey |
VXEQCSKVYZKQOR-WZONZLPQSA-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