General Information of the Compound
Compound ID
CP0578487
Compound Name
6-amino-2-cyclopropyl-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
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Formula
C18H19N5O2
Molecular Weight
337.383
Canonical SMILES
Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(cnc12)C1CC1
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InChI
InChI=1S/C18H19N5O2/c1-8-3-6-12(24)9(2)15(8)23-16(19)13(17(20)25)14-18(23)21-7-11(22-14)10-4-5-10/h3,6-7,10,24H,4-5,19H2,1-2H3,(H2,20,25)
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InChIKey
OGYFWWOEHHCUJO-UHFFFAOYSA-N
Physicochemical Property
logP
2.30144
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
120.05
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Complexity
25

"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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ChEMBL ID
CHEMBL5201803
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: PT01427, Membrane-associated tyrosine- and threonine-specific cdc2-inhibitory kinase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
IC50 = 1 nM
   TI
   LI
   LO
   TS
CL000449 FU-OV-1 Homo sapiens (Human)  1
1
IC50 = 42 nM
   TI
   LI
   LO
   TS