HIT ID: HIT212057389
Cas No: 755039-56-6
分子式: C22H27N5O4
分子量: 425.489
常用名: dTAG Targeting Ligand 1
氢键受体数 (HBA): 8
氢键供体数 (HBD): 2
LogP: 2.6990883
IUPAC: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzoic acid
IUPAC: 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxybenzoic acid
SMILES: CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(O)=O)ncc2N(C)C1=O
SMILES: CC[C@H]1N(C2CCCC2)c2nc(Nc3ccc(cc3OC)C(O)=O)ncc2N(C)C1=O
InChI key: AMLPCXFISSPPBJ-MRXNPFEDSA-N
