General Information of the Compound
| Compound ID |
CP0846079
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| Compound Name |
(7aS,10aS)-7a-Methyl-3,4,6,7,7a,9,10,10a,11,12-decahydro-indeno[4,5-c]quinolizine-2,8-dione; compound with (7aS,10aS)-7a-methyl-3,4,7,7a,9,10,10a,10b,11,12-decahydro-indeno[4,5-c]quinolizine-2,8-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=C3[C@@H](CCC4=CC(=O)CCN43)C1CCC2=O.C[C@]12CCC3=C(CCC4=CC(=O)CCN43)C1CCC2=O
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| InChI |
InChI=1S/2C17H21NO2/c2*1-17-8-6-15-13(14(17)4-5-16(17)20)3-2-11-10-12(19)7-9-18(11)15/h10,14H,2-9H2,1H3;6,10,13-14H,2-5,7-9H2,1H3/t14?,17-;13-,14?,17-/m00/s1
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| InChIKey |
XYYYIKGTCDHCLS-OYNKKDFWSA-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