General Information of the Compound
Compound ID
CP0859780
Compound Name
(R)-3-Amino-chroman-5-carboxylic acid amide
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Structure
Formula
C10H12N2O2
Molecular Weight
192.218
Canonical SMILES
NC(=O)c1cccc2c1C[C@@H](N)CO2
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InChI
InChI=1S/C10H12N2O2/c11-6-4-8-7(10(12)13)2-1-3-9(8)14-5-6/h1-3,6H,4-5,11H2,(H2,12,13)/t6-/m1/s1
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InChIKey
BSIXOZMGFYGXST-ZCFIWIBFSA-N
Physicochemical Property
logP
0.0477
Rotatable Bonds
1
Heavy Atom Count
14
Polar Areas
78.34
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 10679285
SID: 15712386
ChEMBL ID
CHEMBL2112388
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: PT01005, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000041 LTK- Mus musculus (Mouse)  1
1
Ki > 1000 nM
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   LI
   LO
   TS