General Information of the Compound
Compound ID
CP0379143
Compound Name
N-cyclohexyl-4-methylquinazolin-2-amine
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Structure
Formula
C15H19N3
Molecular Weight
241.338
Canonical SMILES
Cc1nc(NC2CCCCC2)nc2ccccc12
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InChI
InChI=1S/C15H19N3/c1-11-13-9-5-6-10-14(13)18-15(16-11)17-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,16,17,18)
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InChIKey
GCXCEKAHFJFISO-UHFFFAOYSA-N
Physicochemical Property
logP
3.68282
Rotatable Bonds
2
Heavy Atom Count
18
Polar Areas
37.81
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
18

"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: 118714792
ChEMBL ID
CHEMBL3337610
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: PT02212, Signal transducer and activator of transcription 1-alpha/beta
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000403 CAL-33 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01503, Signal transducer and activator of transcription 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000403 CAL-33 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS