General Information of the Compound
| Compound ID |
CP0448098
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-chloro-4-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylcarbamoyl)hydrazinyl]phenyl]sulfonyl-N-[2-[3-(dimethylamino)propyl-methylamino]ethyl]pyrrole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C35H42ClN7O4S
|
||||||||||||||||||
| Molecular Weight |
692.286
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CCCN(C)CCNC(=O)c1cccn1S(=O)(=O)c1ccc(NNC(=O)NC2c3ccccc3CCc3ccccc23)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H42ClN7O4S/c1-41(2)20-9-21-42(3)23-19-37-34(44)32-14-8-22-43(32)48(46,47)27-17-18-31(30(36)24-27)39-40-35(45)38-33-28-12-6-4-10-25(28)15-16-26-11-5-7-13-29(26)33/h4-8,10-14,17-18,22,24,33,39H,9,15-16,19-21,23H2,1-3H3,(H,37,44)(H2,38,40,45)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SJLKTXVGAFIHFQ-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