General Information of the Compound
Compound ID
CP0567935
Compound Name
2-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-1-yl)-2-(3-oxo-1H-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide
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Structure
Formula
C19H17N5O2S
Molecular Weight
379.445
Canonical SMILES
O=C(Nc1nccs1)C(N1Cc2ccccc2C1=O)c1ncn2CCCc12
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InChI
InChI=1S/C19H17N5O2S/c25-17(22-19-20-7-9-27-19)16(15-14-6-3-8-23(14)11-21-15)24-10-12-4-1-2-5-13(12)18(24)26/h1-2,4-5,7,9,11,16H,3,6,8,10H2,(H,20,22,25)
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InChIKey
QWFBNRNRJZPZLU-UHFFFAOYSA-N
Physicochemical Property
logP
2.6216
Rotatable Bonds
4
Heavy Atom Count
27
Polar Areas
80.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Complexity
27

"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: 168292798
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00922, Epidermal growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  2
1
IC50 = 16 nM
   TI
   LI
   LO
   TS
2
IC50 = 1700 nM
   TI
   LI
   LO
   TS