General Information of the Compound
Compound ID
CP0494079
Compound Name
3-cyclopropyl-6-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid
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Structure
Formula
C11H11NO2S
Molecular Weight
221.281
Canonical SMILES
Cc1c([nH]c2c(csc12)C1CC1)C(O)=O
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InChI
InChI=1S/C11H11NO2S/c1-5-8(11(13)14)12-9-7(6-2-3-6)4-15-10(5)9/h4,6,12H,2-3H2,1H3,(H,13,14)
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InChIKey
FMVDSUJWEDWDQD-UHFFFAOYSA-N
Physicochemical Property
logP
3.11342
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
53.09
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: 70681839
ChEMBL ID
CHEMBL2037467
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: PT03308, G-protein coupled receptor 35
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000007 HT-29 Homo sapiens (Human)  1
1
EC50 = 8370 nM
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