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Chemical structure of CD00509

GC74677

CD00509

Also known as 5-(furan-2-ylmethylidene)-2-sulfanylidene-1,3-diazinane-4,6-dione

CD00509 is a Tdp1 inhibitor, with an IC50 value of 0·71 μM

ChemicalCAS27430-18-8MW222.22FormulaC9H6N2O3S
CAS number
27430-18-8
Molecular weight
222.22
Formula
C9H6N2O3S
Solubility
DMSO ： 12·5 mg/mL (56·25 mM; Need ultrasonic)
InChIKey
VQRARDATQWRHGF-UHFFFAOYSA-N
Catalogue number
GC74677
Brand
GLPBIO
Computed properties PubChem CID 676561 · XLogP 0.7 · TPSA 103 Ų · H-bond donors 2
XLogP
0.7
TPSA
103 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15

SMILES C1=COC(=C1)C=C2C(=O)NC(=S)NC2=O

Computed descriptors from PubChem (CID 676561), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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