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| Ligand Name: N-((3S,4S)-3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)tetrahydro-2H-pyran-4-yl)acrylamide |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB1467 |
PubChem:
91885617
|
Synonym(s):
- blu-554
- fisogatinib
- 1707289-21-1
- blu554
- unii-5q7r99ckv2
- 5q7r99ckv2
- blu111362
- x439161
- fisogatinib [inn]
- fisogatinib [usan]
- blu554(fisogatinib)
- fisogatinib (usan/inn)
- blu 554 [who-dd]
- chembl4514636
- schembl16668287
- gtpl10220
- ex-a841
- amy16699
- n-((3s,4s)-3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)quinazolin-2-yl)amino)oxan-4-yl)prop-2-enamide
- cs3008
- mfcd30496704
- nsc795718
- s8503
- who 10947
- akos030632994
- acn-037513
- ccg-269714
- cs-5986
- nsc-795718
- ac-29871
- as-55934
- hy-100492
- d11737
- q29209801
- 2-propenamide, n-((3s,4s)-3-((6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-quinazolinyl)amino)tetrahydro-2h-pyran-4-yl)-
- n-[(3s,4s)-3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-quinazolinyl]amino]tetrahydro-2h-pyran-4-yl]-2-propenamide
show 35 synonym(s)
|
| DrugBank: DB16167 |
ChEMBL: CHEMBL4514636 |
| Canonical SMILES: COc1cc(OC)c(Cl)c(c1Cl)-c(cc2)cc(c23)cnc(n3)N[C@@H]4COCC[C@@H]4NC(=O)C=C |
| Standard InChI: InChI=1S/C24H24Cl2N4O4/c1-4-20(31)28-16-7-8-34-12-17(16)30-24-27-11-14-9-13(5-6-15(14)29-24)21-22(25)18(32-2)10-19(33-3)23(21)26/h4-6,9-11,16-17H,1,7-8,12H2,2-3H3,(H,28,31)(H,27,29,30)/t16-,17+/m0/s1 |
| Molecular Formula: C24H24Cl2N4O4 |
Mol. Weight: 502.11746 |
logP: 4.4924 |
| HBD: 2 | HBA: 7 |
| #Rotatable Bonds: 7 | TPSA: 94.6 |