Name: (Rac)-ACT-451840
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT214317492
Cas No:1839508-99-4
常用名:(Rac)-ACT-451840
别名:(Rac)-ACT451840
IUPAC:(2E)-N-{[4-(4-acetylpiperazin-1-yl)phenyl]methyl}-3-(4-tert-butylphenyl)-N-(1-{4-[(4-cyanophenyl)methyl]piperazin-1-yl}-1-oxo-3-phenylpropan-2-yl)prop-2-enamide
IUPAC:(2E)-N-{[4-(4-acetylpiperazin-1-yl)phenyl]methyl}-3-(4-tert-butylphenyl)-N-(1-{4-[(4-cyanophenyl)methyl]piperazin-1-yl}-1-oxo-3-phenylpropan-2-yl)prop-2-enamide
InChI key:BQZUYCCCNXOADJ-PTGBLXJZSA-N

分子式:C47H54N6O3
分子量:750.988
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(=O)N1CCN(CC1)c1ccc(CN(C(Cc2ccccc2)C(=O)N2CCN(Cc3ccc(cc3)C#N)CC2)C(=O)\C=C\c2ccc(cc2)C(C)(C)C)cc1
SMILES:CC(=O)N1CCN(CC1)c1ccc(CN(C(Cc2ccccc2)C(=O)N2CCN(Cc3ccc(cc3)C#N)CC2)C(=O)\C=C\c2ccc(cc2)C(C)(C)C)cc1

(Rac)-ACT-451840 is an isomer of ACT-451840 exhibiting antimalarial activity against Plasmodium falciparum NF54.

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