Details of the Drug

General Information of Drug (ID: DMNJLW2)

Drug Name

NSC-645827

Synonyms

NSC-645827; MLS002701557; C 1303; 128113-19-9; NSC645827; AC1L3YJ7; CHEMBL95704; DTXSID30155810; ZINC5140451; 5-(2-(Diethylamino)ethylamino)-8-hydroxy-6H-(1,2,3)triazolo(4,5-1-de)acridin-6-one; SMR001565158; NCI60_015716; 5-[2-Dimethylaminoethylamino]-8-hydroxy-6H-[1,2,3]triazolo[4,5,1-de]acridin-6-one; 5-(2-(dimethylamino)ethylamino)-8-hydroxy-6H-[1,3]triazolo[4,5,1-de]acridin-6-one; 6H-(1,2,3)Triazolo(4,5,1-de)acridin-6-one, 5-((2-(dimethylamino)ethyl)amino)-8-hydroxy-

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): 0

Molecular Weight (mw)

323.35

Logarithm of the Partition Coefficient (xlogp)

2.5

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C17H17N5O2
IUPAC Name: 10-[2-(dimethylamino)ethylamino]-5-hydroxy-1,14,15-triazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
Canonical SMILES: CN(C)CCNC1=C2C3=C(C=C1)N=NN3C4=C(C2=O)C=C(C=C4)O
InChI: InChI=1S/C17H17N5O2/c1-21(2)8-7-18-12-4-5-13-16-15(12)17(24)11-9-10(23)3-6-14(11)22(16)20-19-13/h3-6,9,18,23H,7-8H2,1-2H3
InChIKey: OMSFZBMJHQNEQZ-UHFFFAOYSA-N