Compound ID	CP0054519
Compound Name	(1R,12R,13S,17R,21S)-12-ethyl-18-propyl-7-(trifluoromethyl)-10,18-diazapentacyclo[11.7.1.02,11.04,9.017,21]henicosa-2(11),3,5,7,9-pentaene     Show/Hide
Structure
Formula	C25H31F3N2
Molecular Weight	416.531
Canonical SMILES	CCCN1CC[C@@H]2[C@@H]3[C@H](CCC[C@@H]13)[C@@H](CC)c1nc3cc(ccc3cc21)C(F)(F)F     Show/Hide
InChI	InChI=1S/C25H31F3N2/c1-3-11-30-12-10-19-20-13-15-8-9-16(25(26,27)28)14-21(15)29-24(20)17(4-2)18-6-5-7-22(30)23(18)19/h8-9,13-14,17-19,22-23H,3-7,10-12H2,1-2H3/t17-,18-,19+,22-,23+/m1/s1     Show/Hide
InChIKey	LILDBTJYRFAMFE-VCSLONGPSA-N
Physicochemical Property	logP 6.745 Rotatable Bonds 3 Heavy Atom Count 30 Polar Areas 16.13 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 2 Complexity 30 "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: 132584404
ChEMBL ID	CHEMBL3897499

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