Details of the Drug

General Information of Drug (ID: DMFVT81)

Drug Name

Kazinol F

Synonyms

Kazinol F; 104494-35-1; CHEMBL457677; 1,2-Benzenediol, 5-(3-(2,4-dihydroxyphenyl)propyl)-3,4-bis(3-methyl-2-butenyl)-; 5-[3-(2,4-dihydroxyphenyl)propyl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol; 1,2-Benzenediol,5-[3-(2,4-dihydroxyphenyl)propyl]-3,4-bis(3-methyl-2-buten-1-yl)-; ACMC-20cyyd; AC1L4EMW; AC1Q79FB; SCHEMBL7555982; CTK4A3084; DTXSID10146504; BDBM50251001

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

396.5

Logarithm of the Partition Coefficient (xlogp)

7.1

Rotatable Bond Count (rotbonds)

8

Hydrogen Bond Donor Count (hbonddonor)

4

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C25H32O4
IUPAC Name: 5-[3-(2,4-dihydroxyphenyl)propyl]-3,4-bis(3-methylbut-2-enyl)benzene-1,2-diol
Canonical SMILES: CC(=CCC1=C(C(=C(C=C1CCCC2=C(C=C(C=C2)O)O)O)O)CC=C(C)C)C
InChI: InChI=1S/C25H32O4/c1-16(2)8-12-21-19(7-5-6-18-10-11-20(26)15-23(18)27)14-24(28)25(29)22(21)13-9-17(3)4/h8-11,14-15,26-29H,5-7,12-13H2,1-4H3
InChIKey: PNQQDEFGJPUAGZ-UHFFFAOYSA-N