Details of the Drug

General Information of Drug (ID: DM71UYI)

Drug Name

Pyridotriazolopyrimidine derivative 1

Synonyms

PMID26161824-Compound-144

Indication

Disease Entry	ICD 11	Status	REF
Obesity	5B81	Patented	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

497.9

Logarithm of the Partition Coefficient (xlogp)

5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C26H20ClN7O2
IUPAC Name: 7-tert-butyl-11-(2-chlorophenyl)-12-[4-(1,2,4-oxadiazol-3-yl)phenyl]-3,4,6,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(13),2,7,9,11-pentaen-5-one
Canonical SMILES: CC(C)(C)C1=NC2=NC(=C(C=C2C3=NNC(=O)N31)C4=CC=C(C=C4)C5=NOC=N5)C6=CC=CC=C6Cl
InChI: InChI=1S/C26H20ClN7O2/c1-26(2,3)24-30-22-18(23-31-32-25(35)34(23)24)12-17(20(29-22)16-6-4-5-7-19(16)27)14-8-10-15(11-9-14)21-28-13-36-33-21/h4-13H,1-3H3,(H,32,35)
InChIKey: CHQLSHSXSIIVFC-UHFFFAOYSA-N