主记录
Avoralstat
- CAS
- 918407-35-9
- PubChem CID
- 86566678
- SMILES
- COC1=CC(=C(C=C1C=C)C(=O)NC2=CC=C(C=C2)C(=N)N)C3=C(N=C(C=C3)C(=O)NCC4CC4)C(=O)O
- 分子式
- C28H27N5O5
- 分子量
- 513.554
- 精确分子量
- 513.2012
- InChI
- InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37)
- InChIKey
- TUWMKPVJGGWGNL-UHFFFAOYSA-N
- LogP
- 3.7746
- TPSA
- 167.49
名称与别名
- Avoralstat
- avoralstatum
- Avoralstat [INN]
- 918407-35-9
- BCX-4161
- BCX4161
- Avoralstat Impurity 1
- BCX-V
- RefChem:115802
- AVORALSTAT [WHO-DD]
- UNII-UX17773O15
- orb1308622
- CHEMBL4297502
- SCHEMBL17513082
- SCHEMBL29725108
- UX17773O15
- GTPL11584
- TUWMKPVJGGWGNL-UHFFFAOYSA-N
- C28H27N5O5
- GLXC-10821
- BCP31077
- BCX 4161
- TLB40735
- BDBM50579244
- MFCD28502152
- AKOS030629101
- CS-7551
- DB12120
- SB17129
- DA-50826