Details of the Drug

General Information of Drug (ID: DMQ05F2)

Drug Name

1-[7-(triphenylmethoxy)heptyl]thymine

Synonyms

1-[7-(triphenylmethoxy)heptyl]thymine; CHEMBL219367; 921587-94-2; CTK3G1843; DTXSID20582671; BDBM50200997; 5-Methyl-1-[7-(triphenylmethoxy)heptyl]pyrimidine-2,4(1H,3H)-dione; 2,4(1H,3H)-Pyrimidinedione, 5-methyl-1-[7-(triphenylmethoxy)heptyl]-

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): 2

Molecular Weight (mw)

482.6

Logarithm of the Partition Coefficient (xlogp)

6.2

Rotatable Bond Count (rotbonds)

12

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C31H34N2O3
IUPAC Name: 5-methyl-1-(7-trityloxyheptyl)pyrimidine-2,4-dione
Canonical SMILES: CC1=CN(C(=O)NC1=O)CCCCCCCOC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI: InChI=1S/C31H34N2O3/c1-25-24-33(30(35)32-29(25)34)22-14-3-2-4-15-23-36-31(26-16-8-5-9-17-26,27-18-10-6-11-19-27)28-20-12-7-13-21-28/h5-13,16-21,24H,2-4,14-15,22-23H2,1H3,(H,32,34,35)
InChIKey: MYFJLJCVSVNEDV-UHFFFAOYSA-N