General Information of the Compound
| Compound ID |
CP0155504
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2S)-N-[6-[5-(hydroxymethyl)pyridin-3-yl]-1,3-benzothiazol-2-yl]-2-(4-methoxyphenyl)cyclopropane-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21N3O3S
|
||||||||||||||||||
| Molecular Weight |
431.517
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccc(cc2s1)-c1cncc(CO)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21N3O3S/c1-30-18-5-2-15(3-6-18)19-10-20(19)23(29)27-24-26-21-7-4-16(9-22(21)31-24)17-8-14(13-28)11-25-12-17/h2-9,11-12,19-20,28H,10,13H2,1H3,(H,26,27,29)/t19-,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PAOHWKCHWPLLOX-UXHICEINSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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