Primary record
FRAX597
- CAS
- 1286739-19-2
- PubChem CID
- 70934541
- SMILES
- CCN1C2=NC(=NC=C2C=C(C1=O)C3=C(C=C(C=C3)C4=CN=CS4)Cl)NC5=CC=C(C=C5)N6CCN(CC6)C
- Molecular Formula
- C29H28ClN7OS
- Molecular Weight
- 558.111
- Exact Mass
- 557.1765
- InChI
- InChI=1S/C29H28ClN7OS/c1-3-37-27-20(14-24(28(37)38)23-9-4-19(15-25(23)30)26-17-31-18-39-26)16-32-29(34-27)33-21-5-7-22(8-6-21)36-12-10-35(2)11-13-36/h4-9,14-18H,3,10-13H2,1-2H3,(H,32,33,34)
- InChIKey
- DHUJCQOUWQMVCG-UHFFFAOYSA-N
- LogP
- 5.7507
- TPSA
- 79.18
Names and synonyms
- FRAX597
- 1286739-19-2
- FRAX 597
- FRAX-597
- RefChem:141512
- C29H28ClN7OS
- CHEMBL3609327
- MFCD25976723
- GTPL8939
- orb1301151
- SCHEMBL13554062
- SCHEMBL29384408
- FRAX 597?
- GLXC-07501
- HMS3673K09
- AMX10195
- BCP12649
- EX-A2219
- BDBM50112347
- HY-15542A
- s7271
- ZINC98209617
- AKOS025404924
- CCG-270039
- CS-1977
- SB19060
- KS-00000T56
- NCGC00389582-01
- NCGC00389582-02
- AC-29026