General Information of the Compound
| Compound ID |
CP0862900
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| Compound Name |
(6aS,9aS)-6a-Methyl-2,3,5,6,6a,8,9,9a,10,11-decahydro-1H-indeno[5,4-f]quinoline-4,7-dione; compound with (6aS,9aS)-6a-methyl-2,3,6,6a,8,9,9a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-4,7-dione
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| Structure |
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| Formula |
C34H42N2O4
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| Molecular Weight |
542.72
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| Canonical SMILES |
C[C@]12CC=C3C4=C(CCC3[C@@H]1CCC2=O)NCCC4=O.C[C@]12CCC3=C(CCC4=C3C(=O)CCN4)[C@@H]1CCC2=O
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| InChI |
InChI=1S/2C17H21NO2/c2*1-17-8-6-11-10(12(17)3-5-15(17)20)2-4-13-16(11)14(19)7-9-18-13/h12,18H,2-9H2,1H3;6,10,12,18H,2-5,7-9H2,1H3/t12-,17-;10?,12-,17-/m00/s1
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| InChIKey |
DJEYGWAYDUMQDJ-ZYYYDXMESA-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