General Information of the Compound
Compound ID
CP0566910
Compound Name
N-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-4-ethoxy-1-(4-fluoro-2-methylphenyl)pyrazole-3-carboxamide
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Synonyms
1361030-48-9
AKOS026750422
AOB87188
BCP14023
BDBM50172075
CHEMBL3808844
CS-3603
EX-A2265
GTPL8247
HY-12494
LDC-1267
LDC1267
MolPort-035-944-330
N-(4-((6,7-dimethoxyquinolin-4-yl)oxy)-3-fluorophenyl)-4-ethoxy-1-(4-fluoro-2-methylphenyl)-1H-pyrazole-3-carboxamide
NCGC00386431-02
SB19391
SCHEMBL167963
ZINC113241878
s7638
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Structure
Formula
C30H26F2N4O5
Molecular Weight
560.557
Canonical SMILES
CCOc1cn(nc1C(=O)Nc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1)-c1ccc(F)cc1C
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InChI
InChI=1S/C30H26F2N4O5/c1-5-40-28-16-36(23-8-6-18(31)12-17(23)2)35-29(28)30(37)34-19-7-9-25(21(32)13-19)41-24-10-11-33-22-15-27(39-4)26(38-3)14-20(22)24/h6-16H,5H2,1-4H3,(H,34,37)
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InChIKey
ISPBCAXOSOLFME-UHFFFAOYSA-N
Physicochemical Property
logP
6.46762
Rotatable Bonds
9
Heavy Atom Count
41
Polar Areas
96.73
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Complexity
41

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 56847486
SID: 135379148
ChEMBL ID
CHEMBL3808844
Clinical Information about the Compound
Drug 1 ( LDC1267 )
Drug Name LDC1267
Target(s)
Tyrosine-protein kinase UFO (AXL)
 Target Info 
Inhibitor
TYRO3 tyrosine kinase receptor (TYRO3)
 Target Info 
Inhibitor
Tyrosine-protein kinase Mer (MERTK)
 Target Info 
Inhibitor