Drug Information
| General Information | ||||||
|---|---|---|---|---|---|---|
| Drug ID |
DR00109
|
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| Drug Name |
Dacomitinib
|
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| Synonyms |
PF-00299804
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| Drug Type |
Small molecular drug
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| Structure |
|
 |
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| 3D MOL | 2D MOL | |||||
| Formula |
C24H25ClFN5O2
|
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| Canonical SMILES |
COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC(=O)C=CCN4CCCCC4
|
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| 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+
|
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| InChIKey |
LVXJQMNHJWSHET-AATRIKPKSA-N
|
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| CAS Number |
CAS 1110813-31-4
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| Pharmaceutical Properties | Molecular Weight | 469.9 | Topological Polar Surface Area | 79.4 | ||
| Heavy Atom Count | 33 | Rotatable Bond Count | 7 | |||
| Hydrogen Bond Donor Count | 2 | Hydrogen Bond Acceptor Count | 7 | |||
| XLogP |
4.4
|
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| PubChem CID | ||||||
| PubChem SID |
135263265
,135626635
,136340260
,136349571
,136367702
,140977763
,152159560
,152258509
,160647344
,162011542
,162038136
,162205175
,164041746
,16613030
,172918917
,174505192
,174526192
,178103994
,185997026
,189622863
,194690240
,198956821
,223382341
,223705276
,23640600
,252109876
,252216044
,252451737
,252451797
,74609599
|
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| ChEBI ID |
ChEBI:91466
|
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| TTD Drug ID | ||||||
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