General Information of the Compound
| Compound ID |
CP0915615
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-(2-Carbamimidoylsulfanylmethyl-4-fluoro-phenylsulfanyl)-5-nitro-benzyl]-isothiourea hydrobromide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17BrFN5O2S3
|
||||||||||||||||||
| Molecular Weight |
506.448
|
||||||||||||||||||
| Canonical SMILES |
Br.N=C(N)SCc1cc(F)ccc1Sc1ccc([N+](=O)[O-])cc1CSC(=N)N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H16FN5O2S3.BrH/c17-11-1-3-13(9(5-11)7-25-15(18)19)27-14-4-2-12(22(23)24)6-10(14)8-26-16(20)21;/h1-6H,7-8H2,(H3,18,19)(H3,20,21);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
UCZFPSMTCPFTQP-UHFFFAOYSA-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