Name: OP-2507
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214318589
Cas No:101758-79-6
常用名:OP-2507
IUPAC:methyl 5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxy-3-[(1r,4R)-4-propylcyclohexyl]prop-1-en-1-yl]-3H,3aH,4H,5H,6H,6aH-cyclopenta[b]pyrrol-2-yl]pentanoate
IUPAC:methyl 5-[(3aR,4R,5R,6aS)-5-hydroxy-4-[(1E,3S)-3-hydroxy-3-[(1r,4R)-4-propylcyclohexyl]prop-1-en-1-yl]-3H,3aH,4H,5H,6H,6aH-cyclopenta[b]pyrrol-2-yl]pentanoate
InChI key:UQEOPLABKYFAJH-SXFQMNBESA-N

分子式:C25H41NO4
分子量:419.606
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)[C@]3([H])CC[C@H](CCC)CC3)[C@@]1([H])CC(CCCCC(=O)OC)=N2 |wU:8.8,10.10,5.5,1.0,20.22,wD:10.9,14.14,3.3,c:33,(-2.43,4.62,;-1.66,3.28,;-3.16,2.96,;-3.33,1.43,;-4.66,.66,;-1.92,.8,;-1.6,-.7,;-2.74,-1.73,;-2.42,-3.24,;-.96,-3.71,;-3.57,-4.27,;-2.1,-4.75,;-3.25,-5.78,;-4.39,-6.81,;-5.86,-6.33,;-7,-7.36,;-8.46,-6.88,;-9.61,-7.92,;-6.18,-4.82,;-5.03,-3.79,;-.89,1.95,;-.12,.62,;.62,2.27,;.78,3.8,;2.11,4.57,;3.45,3.8,;4.78,4.57,;6.11,3.8,;7.45,4.57,;7.45,6.11,;8.78,3.8,;10.12,4.57,;-.63,4.43,)|
SMILES:[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)[C@]3([H])CC[C@H](CCC)CC3)[C@@]1([H])CC(CCCCC(=O)OC)=N2 |wU:8.8,10.10,5.5,1.0,20.22,wD:10.9,14.14,3.3,c:33,(-2.43,4.62,;-1.66,3.28,;-3.16,2.96,;-3.33,1.43,;-4.66,.66,;-1.92,.8,;-1.6,-.7,;-2.74,-1.73,;-2.42,-3.24,;-.96,-3.71,;-3.57,-4.27,;-2.1,-4.75,;-3.25,-5.78,;-4.39,-6.81,;-5.86,-6.33,;-7,-7.36,;-8.46,-6.88,;-9.61,-7.92,;-6.18,-4.82,;-5.03,-3.79,;-.89,1.95,;-.12,.62,;.62,2.27,;.78,3.8,;2.11,4.57,;3.45,3.8,;4.78,4.57,;6.11,3.8,;7.45,4.57,;7.45,6.11,;8.78,3.8,;10.12,4.57,;-.63,4.43,)|

OP-2507, a prostacyclin agonist, is used potentially for the treatment of hepatic insufficiency and hypertension.

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