General Information of the Compound
| Compound ID |
CP0960730
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(2-amino-1-(5-(hydroxymethyl)-4-methylthiazol-2-yl)ethyl)-1H-indole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C16H18N4O2S
|
||||||||||||||||||
| Molecular Weight |
330.413
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc([C@H](CN)NC(=O)c2cc3ccccc3[nH]2)sc1CO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H18N4O2S/c1-9-14(8-21)23-16(18-9)13(7-17)20-15(22)12-6-10-4-2-3-5-11(10)19-12/h2-6,13,19,21H,7-8,17H2,1H3,(H,20,22)/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OVYNSPKXRDSQBW-ZDUSSCGKSA-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 | |||||||||||||||||||
| 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