 |
| Ligand Name: Dacomitinib |
| Ligand Type: non-polymer |
| Ligand ID: COVPDB75 |
PubChem:
11511120
|
Synonym(s):
- 1110813-31-4
- pf299804
- dacomitinib (pf299804, pf299)
- pf-00299804
- (e)-n-(4-((3-chloro-4-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)-4-(piperidin-1-yl)but-2-enamide
- vizimpro
- unii-2xjx250c20
- (2e)-n-[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxy-6-quinazolinyl]-4-(1-piperidinyl)-2-butenamide
- dacomitinib (pf299804)
- pf00299804
- 2xjx250c20
- pf 00299804-03
- 1110813-31-4 (free)
- pf-00299804-03
- c24h25clfn5o2
- (2e)-n-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-4-(piperidin-1-yl)but-2-enamide
- dacomitinib hydrate
- dacomitinib [usan:inn]
- pf 00299804
- pf-299804
- 1042385-75-0
- dacomitinibum
- (e)-n-[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]-4-(piperidin-1-yl)but-2-enamide
- dacomitinib (inn)
- dacomitinib anhydrous
- cc-194
- mls006011275
- gtpl7422
- chembl2110732
- pf-00299804 dacomitinib
- chebi:91466
- dtxsid50149493
- ex-a030
- qcr-174
- chebi:132268
- bdbm112499
- (e)-n-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide
- amy21292
- aob87383
- aob87735
- bcp02530
- abp000126
- mfcd19443734
- nsc765888
- nsc800084
- pf-299
- s2727
- zinc72266312
- akos025401818
- ccg-264987
- cs-0500
- db11963
- nsc-765888
- nsc-800084
- sb21754
- us8623883, no. 2
- ncgc00263185-09
- ncgc00263185-10
- ac-25915
- as-57686
- hy-13272
- smr004703025
- pf299804|||pf299
- ab0035896
- d5450
- sw219155-1
- y0338
- d09883
- dacomitinib (pf299804, pf-00299804)
- pf-299804 (dacomitinib pf-00299804)
- q-4059
- j-500784
- q17130597
- (2e)-n-[4-(3-chloro-4-fluoroanilino)-7-methoxyquinazolin-6-yl]-4-(piperidin-1-yl)but-2-enamide
- (e)-n-(4-(3-chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-yl)-4-(piperidin-1-yl)but-2-enamide
- (e)-n-[4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl]-4-piperidin-1-ylbut-2-enamide
- 2-butenamide, n-(4-((3-chloro-4-fluorophenyl)amino)-7-methoxy-6-quinazolinyl)-4-(1-piperidinyl)-, (2e)-
show 76 synonym(s)
|
| DrugBank: DB11963 |
ChEMBL: CHEMBL2110732 |
| Canonical SMILES: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)\C=C\CN1CCCCC1 |
| Standard InChI: InChI=1S/C24H25ClFN5O2/c1-33-22-14-20-17(24(28-15-27-20)29-16-7-8-19(26)18(25)12-16)13-21(22)30-23(32)6-5-11-31-9-3-2-4-10-31/h5-8,12-15H,2-4,9-11H2,1H3,(H,30,32)(H,27,28,29)/b6-5+ |
| Molecular Formula: C24H25ClFN5O2 |
Mol. Weight: 469.1681 |
logP: 5.1551 |
| HBD: 2 | HBA: 6 |
| #Rotatable Bonds: 7 | TPSA: 79.38 |