MetaADEDB 2.0 @ LMMD
6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-3,4-dihydroquinolin-2(1H)-one
(HESLKTSGTIBHJU-UHFFFAOYSA-N)
Structure
SMILES
O=C1CCc2c(N1)ccc(c2)Nc1ncc(c(n1)NCc1cccc(c1)S(=O)(=O)C)C(F)(F)F
Molecular Formula:
C22H20F3N5O3S
Molecular Weight:
491.486
Log P:
5.5041
Hydrogen Bond Acceptor:
7
Hydrogen Bond Donor:
3
TPSA:
121.46
CAS Number(s):
869288-64-2
Synonym(s)
1.
6-(4-(3-(methylsulfonyl)benzylamino)-5-(trifluoromethyl)pyrimidin-2-ylamino)-3,4-dihydroquinolin-2(1H)-one
2.
PF 228
3.
PF 573,228
4.
PF 573228
5.
PF-228
6.
PF-573,228
7.
PF-573228
8.
PF228 cpd
9.
PF573,228
10.
PF573228
External Link(s)
MeSHC521108
PubChem Compound11612883
BindingDB50269948
ChEBI91446
CHEMBLCHEMBL514554
Therapeutic Target DatabaseD02QAZ
ZINC35636073
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Neoplasm Invasiveness28395993CTD
Powered by :

Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120262

Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.