Name: Tubotaiwine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT213885258
Cas No:6711-69-9
常用名:Tubotaiwine
IUPAC:methyl (1S,11S,17R,18S)-18-ethyl-8,14-diazapentacyclo[9.5.2.0^{1,9}.0^{2,7}.0^{14,17}]octadeca-2,4,6,9-tetraene-10-carboxylate
IUPAC:methyl (1S,11S,17R,18S)-18-ethyl-8,14-diazapentacyclo[9.5.2.0^{1,9}.0^{2,7}.0^{14,17}]octadeca-2,4,6,9-tetraene-10-carboxylate
InChI key:RLAKWLFUMAABBE-STJTYLQHSA-N

分子式:C20H24N2O2
分子量:324.424
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@@H](CC)[C@@H]3CCN1CC[C@@]21C(Nc2ccccc12)=C3C(=O)OC |c:23,TLB:3:2:6.7.8:11.12.20,THB:9:8:2:11.12.20,10:11:2:6.7.8,19:11:2:6.7.8|
SMILES:[H][C@]12[C@@H](CC)[C@@H]3CCN1CC[C@@]21C(Nc2ccccc12)=C3C(=O)OC |c:23,TLB:3:2:6.7.8:11.12.20,THB:9:8:2:11.12.20,10:11:2:6.7.8,19:11:2:6.7.8|

Tubotaiwine shows selective activity against L. infantum. Tubotaiwine and apparicine have affinity for adenosine receptors in the micromolar range and also have in-vivo analgesic activity in mice.

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