主记录
BAY1217389
- CAS
- 1554458-53-5
- PubChem CID
- 78320750
- SMILES
- CC1=C(C=CC(=C1)C2=CN=C3N2N=C(C=C3NCCC(F)(F)F)OC4=C(C(=C(C=C4)OC)F)F)C(=O)NC5CC5
- 分子式
- C27H24F5N5O3
- 分子量
- 561.511
- 精确分子量
- 561.1799
- InChI
- InChI=1S/C27H24F5N5O3/c1-14-11-15(3-6-17(14)26(38)35-16-4-5-16)19-13-34-25-18(33-10-9-27(30,31)32)12-22(36-37(19)25)40-21-8-7-20(39-2)23(28)24(21)29/h3,6-8,11-13,16,33H,4-5,9-10H2,1-2H3,(H,35,38)
- InChIKey
- WNEILUNVMHVMPH-UHFFFAOYSA-N
- LogP
- 6.0403
- TPSA
- 89.78
名称与别名
- BAY1217389
- 1554458-53-5
- BAY-1217389
- Bay 1217389
- RefChem:116722
- UNII-M964LB1114
- MFCD30502614
- WNEILUNVMHVMPH-UHFFFAOYSA-N
- orb1695455
- CHEMBL4456085
- M964LB1114
- SCHEMBL15555839
- SCHEMBL30381937
- GTPL12705
- EX-A948
- C27H24F5N5O3
- BDBM258444
- DTXSID601382063
- GLXC-10350
- BCP17401
- EMC45853
- compound 35 [PMID: 31121430]
- EBC-84115
- NSC787026
- s8215
- AKOS032944938
- ZINC221039372
- CCG-265387
- CS-6182
- NSC-787026