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Smiles: CN(C1CCS(=O)(=O)CC1)C(=O)CNC(=O)/C=C/C1C=C(Cl)C=CC=1
Smiles: CN(CCCC(C#N)(C(C)C)C1C=C(OC)C(=CC=1)OC)CCC1C=C(OC)C(=CC=1)OC
InChiKey: KATKZQUZLDDMQJ-UHFFFAOYSA-N
QSAR and in Silico ADMET studies of decanoic acid derivatives
InChiKey: QFFCYTLOTYIJMR-XMGTWHOFSA-N
ARQ 531 7096 Smiles: CN(C1CCS(=O)(=O)CC1)C(=O)CNC(=O)/C=C/C1C=C(Cl)C=CC=1ARQ 531 (MK 1026) is a reversible non covalent and orally active inhibitor of Brutons Tyrosine Kinase (BTK), with IC50s of 0. 85 nM and 0. 39 nM for WT BTK and C481S BTK, respectively. Product information CAS Number: 2095393 15 8 Molecular Weight: 478. 93 Formula: C25H23ClN4O4 Chemical Name: [(2S,5R) 5 {[5 (2 chloro 4 phenoxybenzoyl) 7H pyrrolo[2,3 d]pyrimidin 4 yl]amino}oxan 2 yl]methanol Smiles:
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