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| Ligand Name: H3B-6545 |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1140 |
PubChem:
124091040
|
Synonym(s):
- 2052130-80-8
- (e)-n,n-dimethyl-4-((2-((5-((z)-4,4,4-trifluoro-1-(3-fluoro-1h-indazol-5-yl)-2-phenylbut-1-en-1-yl)pyridin-2-yl)oxy)ethyl)amino)but-2-enamide
- schembl18261010
- schembl22718548
- ex-a2942
- hy-112596
- cs-0047714
- (2e)-n,n-dimethyl-4-{[2-({5-[(1z)-4,4,4-trifluoro-1-(3-fluoro-1h-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide
show 7 synonym(s)
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| DrugBank: - |
ChEMBL: - |
| Canonical SMILES: CN(C)C(=O)/C=C/CNCCOc1ccc(cn1)/C(c(c2)ccc(c23)n[nH]c3F)=C(/CC(F)(F)F)c4ccccc4 |
| Standard InChI: InChI=1S/C30H29F4N5O2/c1-39(2)27(40)9-6-14-35-15-16-41-26-13-11-22(19-36-26)28(21-10-12-25-23(17-21)29(31)38-37-25)24(18-30(32,33)34)20-7-4-3-5-8-20/h3-13,17,19,35H,14-16,18H2,1-2H3,(H,37,38)/b9-6+,28-24- |
| Molecular Formula: C30H29F4N5O2 |
Mol. Weight: 567.2257 |
logP: 5.6213 |
| HBD: 2 | HBA: 5 |
| #Rotatable Bonds: 11 | TPSA: 83.14 |