Compound ID	CP0085414
Compound Name	(3aS,6R,6aS,9aR,9bR)-6-benzyl-1-methyl-3,3a,4,6,6a,7,8,9,9a,9b-decahydro-2H-benzo[de]quinolin-5-one     Show/Hide
Structure
Formula	C20H27NO
Molecular Weight	297.442
Canonical SMILES	CN1CC[C@H]2CC(=O)[C@H](Cc3ccccc3)[C@H]3CCC[C@@H]1[C@H]23     Show/Hide
InChI	InChI=1S/C20H27NO/c1-21-11-10-15-13-19(22)17(12-14-6-3-2-4-7-14)16-8-5-9-18(21)20(15)16/h2-4,6-7,15-18,20H,5,8-13H2,1H3/t15-,16+,17+,18+,20+/m0/s1     Show/Hide
InChIKey	HWGSTWOVRDYFSO-VAVNGKDRSA-N
Physicochemical Property	logP 3.5547 Rotatable Bonds 2 Heavy Atom Count 22 Polar Areas 20.31 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Complexity 22 "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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PubChem ID	CID: 134149168
ChEMBL ID	CHEMBL3936289

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