主记录
TG 100801
- CAS
- 867331-82-6
- PubChem CID
- 11973736
- SMILES
- CC1=CC(=CC2=C1N=C(N=N2)NC3=CC=C(C=C3)OCCN4CCCC4)C5=C(C=CC(=C5)OC(=O)C6=CC=CC=C6)Cl
- 分子式
- C33H30ClN5O3
- 分子量
- 580.088
- 精确分子量
- 579.2037
- InChI
- InChI=1S/C33H30ClN5O3/c1-22-19-24(28-21-27(13-14-29(28)34)42-32(40)23-7-3-2-4-8-23)20-30-31(22)36-33(38-37-30)35-25-9-11-26(12-10-25)41-18-17-39-15-5-6-16-39/h2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,35,36,38)
- InChIKey
- JMGXJHWTVBGOKG-UHFFFAOYSA-N
- LogP
- 7.091
- TPSA
- 89.47
名称与别名
- TG 100801
- 867331-82-6
- TG100801
- TG-100801
- 1VZO7A0J9S
- UNII-1VZO7A0J9S
- RefChem:897556
- C33H30ClN5O3
- D0GP9Q
- DTXSID20235791
- CHEMBL403989
- orb1708359
- SCHEMBL12198196
- SCHEMBL29941250
- BDBM97971
- KS-00001CQP
- 867331-82-6 (free base)
- DTXCID50158282
- JMGXJHWTVBGOKG-UHFFFAOYSA-N
- MFCD16038901
- BCP02570
- 3641AC
- ABP000364
- NSC800948
- ZINC29136020
- CID 11973736
- AKOS016008711
- CS-0785
- DB05075
- NSC-800948