Name: PROTAC BET-binding moiety 1
Rating: 5 (10 reviews)

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HIT ID:HIT212080476
Cas No:2093387-77-8
常用名:PROTAC BET-binding moiety 1
IUPAC:4-[(3-cyclopropyl-1-ethyl-1H-pyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylic acid
IUPAC:4-[(3-cyclopropyl-1-ethyl-1H-pyrazol-5-yl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-9H-pyrimido[4,5-b]indole-2-carboxylic acid
InChI key:DSICVZUZCUHARI-UHFFFAOYSA-N

分子式:C25H25N7O4
分子量:487.52
氢键供体数 (HBD):3
氢键受体数 (HBA):8
LogP:1.3625456
SMILES:CCn1nc(cc1Nc1nc(nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)C(O)=O)C1CC1
SMILES:CCn1nc(cc1Nc1nc(nc2[nH]c3cc(-c4c(C)noc4C)c(OC)cc3c12)C(O)=O)C1CC1

PROTAC BET-binding moiety 1 is a key intermediate in the synthesis of high affinity BET inhibitors

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