Compound ID	CP0135923
Compound Name	CHEBI:6956     Show/Hide
Structure
Formula	C23H30N2O4
Molecular Weight	398.503
Canonical SMILES	CC[C@@H]1CN2CCc3c([nH]c4cccc(OC)c34)[C@@H]2C[C@@H]1\C(=C/OC)C(=O)OC     Show/Hide
InChI	InChI=1S/C23H30N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h6-8,13-14,16,19,24H,5,9-12H2,1-4H3/b17-13+/t14-,16+,19+/m1/s1     Show/Hide
InChIKey	LELBFTMXCIIKKX-QVRQZEMUSA-N
CAS	4098-40-2
Physicochemical Property	logP 3.8251 Rotatable Bonds 5 Heavy Atom Count 29 Polar Areas 63.79 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5 Complexity 29 "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: 3034396 SID: 16926398
ChEMBL ID	CHEMBL299031

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