General Information of the Compound
| Compound ID |
CP0499147
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| Compound Name |
(6aR,9R)-phenyl 9-(diethylcarbamoyl)-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-7(4H)-carboxylate
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| Structure |
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| Formula |
C26H27N3O3
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| Molecular Weight |
429.52
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| Canonical SMILES |
CCN(CC)C(=O)[C@H]1CN([C@@H]2Cc3c[nH]c4cccc(C2=C1)c34)C(=O)Oc1ccccc1
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| InChI |
InChI=1S/C26H27N3O3/c1-3-28(4-2)25(30)18-13-21-20-11-8-12-22-24(20)17(15-27-22)14-23(21)29(16-18)26(31)32-19-9-6-5-7-10-19/h5-13,15,18,23,27H,3-4,14,16H2,1-2H3/t18-,23-/m1/s1
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| InChIKey |
JTMIMYFSDMVBSD-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