Compound ID	CP0003459
Compound Name	3-(2-methoxyphenyl)-9-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,9-diazaspiro[5.5]undecane     Show/Hide
Structure
Formula	C28H37N5OS
Molecular Weight	491.705
Canonical SMILES	COc1ccccc1N1CCC2(CCN(CCCSc3nnc(-c4ccccc4)n3C)CC2)CC1     Show/Hide
InChI	InChI=1S/C28H37N5OS/c1-31-26(23-9-4-3-5-10-23)29-30-27(31)35-22-8-17-32-18-13-28(14-19-32)15-20-33(21-16-28)24-11-6-7-12-25(24)34-2/h3-7,9-12H,8,13-22H2,1-2H3     Show/Hide
InChIKey	KVHHUZUNLIGTBY-UHFFFAOYSA-N
Physicochemical Property	logP 5.3555 Rotatable Bonds 8 Heavy Atom Count 35 Polar Areas 46.42 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7 Complexity 35 "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: 137645406
ChEMBL ID	CHEMBL4084262

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