Name: CH-1504
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT212712362
Cas No:238074-89-0
常用名:CH-1504
别名:MobileTrex, CH 1504
IUPAC:2-({4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]phenyl}formamido)-4-methylidenepentanedioic acid
IUPAC:2-({4-[2-(2,4-diaminoquinazolin-6-yl)ethyl]phenyl}formamido)-4-methylidenepentanedioic acid
InChI key:NAWXUBYGYWOOIX-UHFFFAOYSA-N

分子式:C23H23N5O5
分子量:449.467
氢键供体数 (HBD):5
氢键受体数 (HBA):9
LogP:0.6198234
SMILES:Nc1nc(N)c2cc(CCc3ccc(cc3)C(=O)NC(CC(=C)C(O)=O)C(O)=O)ccc2n1
SMILES:Nc1nc(N)c2cc(CCc3ccc(cc3)C(=O)NC(CC(=C)C(O)=O)C(O)=O)ccc2n1

CH-1504, dihydrofolate reductase (DHFR) inhibitor, is used potentially for the treatment of rheumatoid arthritis.

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