General Information of the Compound
Compound ID
CP0499269
Compound Name
(2S,3R,4S)-3-cyclopropyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxylic acid
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Structure
Formula
C11H12N2O2
Molecular Weight
204.229
Canonical SMILES
OC(=O)c1n[nH]c2[C@H]3[C@@H](Cc12)[C@H]3C1CC1
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InChI
InChI=1S/C11H12N2O2/c14-11(15)10-6-3-5-7(4-1-2-4)8(5)9(6)12-13-10/h4-5,7-8H,1-3H2,(H,12,13)(H,14,15)/t5-,7+,8-/m0/s1
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InChIKey
KRGVFHQAOMELTE-ARDNSNSESA-N
Physicochemical Property
logP
1.4036
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
65.98
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Complexity
15

"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: 57413542
SID: 136971974
ChEMBL ID
CHEMBL2059829
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: PT01282, Hydroxycarboxylic acid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
EC50 = 1980 nM
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