General Information of the Compound
| Compound ID |
CP0540436
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| Compound Name |
(4aS,5R,10bS)-5-(1-ethylpiperidin-4-yl)-9-(3-methylbutoxy)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline
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| Structure |
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| Formula |
C24H38N2O2
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| Molecular Weight |
386.58
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| Canonical SMILES |
CCN1CCC(CC1)[C@H]1Nc2ccc(OCCC(C)C)cc2[C@H]2OCCC[C@@H]12
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| InChI |
InChI=1S/C24H38N2O2/c1-4-26-12-9-18(10-13-26)23-20-6-5-14-28-24(20)21-16-19(7-8-22(21)25-23)27-15-11-17(2)3/h7-8,16-18,20,23-25H,4-6,9-15H2,1-3H3/t20-,23+,24-/m0/s1
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| InChIKey |
MPMRTTKWHVOKFG-ZTCOLXNVSA-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