General Information of the Compound
Compound ID
CP0160838
Compound Name
5-amino-1-propan-2-yl-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
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Structure
Formula
C14H15N5O2S
Molecular Weight
317.374
Canonical SMILES
CC(C)n1nc(-c2cc(on2)-c2cccs2)c(C(N)=O)c1N
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InChI
InChI=1S/C14H15N5O2S/c1-7(2)19-13(15)11(14(16)20)12(17-19)8-6-9(21-18-8)10-4-3-5-22-10/h3-7H,15H2,1-2H3,(H2,16,20)
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InChIKey
OWIFLGHJXLNMTM-UHFFFAOYSA-N
Physicochemical Property
logP
2.5286
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
112.96
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
7
Complexity
22

"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: 137654763
ChEMBL ID
CHEMBL4094670
Table of Molecular Bioactivities Related to the Compound
Cell Viability or Cytotoxicity Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000077 Ba/F3 Mus musculus (Mouse)  1
1
GI50 > 10000 nM
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