GD002348

Name:

None

Formula:

C34H31O9N4ClS

Smiles:

CC(=O)OCC1OC(n2c(-c3ccccc3)c(N=Nc3ccc(Cl)cc3)c(C)c(C#N)c2=S)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:

COC(C)=O.Cc1c(N=Nc2ccc(Cl)cc2)c(-c2ccccc2)[nH]c(=S)c1C#N

Sugarmoiety:

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

• CHEMBL1970132

AD00017

Formula: C3H6O2

Smiles:

COC(C)=O

HBA:	2	RingCount:	0
HBD:	0	FractionCSP3:	0.67
AlogP:	0.18	Num_rotatable_bonds:	0
MolWt:	74.08	Num_heavy_atoms:	5
TPSA:	26.3	NumAromaticRings:	0

AD02249

Formula: C20H13N4ClS

Smiles:

Cc1c(N=Nc2ccc(Cl)cc2)c(-c2ccccc2)[nH]c(=S)c1C#N

HBA:	4	RingCount:	3
HBD:	1	FractionCSP3:	0.05
AlogP:	6.66	Num_rotatable_bonds:	3
MolWt:	364.86	Num_heavy_atoms:	25
TPSA:	64.3	NumAromaticRings:	3