General Information of the Compound
| Compound ID |
CP0471988
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| Compound Name |
(6aR,9R)-N9,N9-diethyl-N7-(pyridin-3-yl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7,9(4H)-dicarboxamide
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| Structure |
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| Formula |
C25H27N5O2
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| Molecular Weight |
429.524
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| Canonical SMILES |
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Nc1cccnc1
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| InChI |
InChI=1S/C25H27N5O2/c1-3-29(4-2)24(31)17-11-20-19-8-5-9-21-23(19)16(13-27-21)12-22(20)30(15-17)25(32)28-18-7-6-10-26-14-18/h5-11,13-14,17,22,27H,3-4,12,15H2,1-2H3,(H,28,32)/t17-,22-/m1/s1
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| InChIKey |
KDYQLCOJSHGDEY-VGOFRKELSA-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