主记录
PF-04217903.MsOH
- CAS
- 956906-93-7
- PubChem CID
- 87407843
- SMILES
- CS(=O)(=O)OCCN1C=C(C=N1)C2=CN=C3C(=N2)N(N=N3)CC4=CC5=C(C=C4)N=CC=C5
- 分子式
- C20H18N8O3S
- 分子量
- 450.484
- 精确分子量
- 450.1223
- InChI
- InChI=1S/C20H18N8O3S/c1-32(29,30)31-8-7-27-13-16(10-23-27)18-11-22-19-20(24-18)28(26-25-19)12-14-4-5-17-15(9-14)3-2-6-21-17/h2-6,9-11,13H,7-8,12H2,1H3
- InChIKey
- JLCUBPHDOQGASY-UHFFFAOYSA-N
- LogP
- 1.6575
- TPSA
- 130.57
名称与别名
- SCHEMBL2571583
- SCHEMBL29528188
- PF-04217903.MsOH
- 2-(4-(1-(Quinolin-6-ylmethyl)-1h-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1h-pyrazol-1-yl)ethanol methanesulfonate
- 956906-93-7