Name: TRPV3 antagonist 74a
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT214321656
Cas No:1432051-63-2
常用名:TRPV3 antagonist 74a
别名:TRPV3 74a
IUPAC:(1R,3r)-3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)pyridin-2-yl]cyclobutan-1-ol
IUPAC:(1R,3r)-3-[(S)-hydroxy(pyridin-2-yl)methyl]-1-methyl-3-[4-(trifluoromethyl)pyridin-2-yl]cyclobutan-1-ol
InChI key:MTJXDHFAWXGXIN-OAGGEKHMSA-N

分子式:C17H17F3N2O2
分子量:338.33
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:C[C@@]1(O)C[C@@](C1)([C@H](O)c1ccccn1)c1cc(ccn1)C(F)(F)F |wU:1.0,4.15,wD:6.7,4.6,1.1,(2.63,-4.98,;3.72,-3.89,;4.81,-4.98,;2.63,-2.8,;3.72,-1.71,;4.81,-2.8,;4.81,-.62,;4.41,.87,;6.3,-1.02,;7.38,.07,;8.87,-.33,;9.27,-1.82,;8.18,-2.9,;6.69,-2.51,;2.63,-.62,;3.03,.87,;1.94,1.96,;.45,1.56,;.05,.07,;1.14,-1.02,;2.34,3.44,;2.74,4.93,;3.83,3.05,;.85,3.84,)|
SMILES:C[C@@]1(O)C[C@@](C1)([C@H](O)c1ccccn1)c1cc(ccn1)C(F)(F)F |wU:1.0,4.15,wD:6.7,4.6,1.1,(2.63,-4.98,;3.72,-3.89,;4.81,-4.98,;2.63,-2.8,;3.72,-1.71,;4.81,-2.8,;4.81,-.62,;4.41,.87,;6.3,-1.02,;7.38,.07,;8.87,-.33,;9.27,-1.82,;8.18,-2.9,;6.69,-2.51,;2.63,-.62,;3.03,.87,;1.94,1.96,;.45,1.56,;.05,.07,;1.14,-1.02,;2.34,3.44,;2.74,4.93,;3.83,3.05,;.85,3.84,)|

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