General Information of the Compound
Compound ID
CP0407684
Compound Name
N-[2-[4-(5,6-dihydro-4H-1,3-thiazin-2-ylamino)phenyl]ethyl]-1,3-benzothiazol-2-amine
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Structure
Formula
C19H20N4S2
Molecular Weight
368.531
Canonical SMILES
C(Cc1ccc(cc1)N=C1NCCCS1)Nc1nc2ccccc2s1
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InChI
InChI=1S/C19H20N4S2/c1-2-5-17-16(4-1)23-19(25-17)21-12-10-14-6-8-15(9-7-14)22-18-20-11-3-13-24-18/h1-2,4-9H,3,10-13H2,(H,20,22)(H,21,23)
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InChIKey
POULFYBDBQBCRT-UHFFFAOYSA-N
Physicochemical Property
logP
4.6649
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
49.31
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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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PubChem ID
CID: 46879560
ChEMBL ID
CHEMBL1082083
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: PT02259, Neuropeptide Y receptor type 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000026 CHO-K1 Cricetulus griseus (Chinese hamster)  1
1
Ki = 221 nM
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