General Information of the Compound
| Compound ID |
CP0159082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[3-fluoro-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]phenyl]-N-[1-(methylcarbamoyl)cyclohexyl]furan-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29FN4O4S
|
||||||||||||||||||
| Molecular Weight |
524.618
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)C1(CCCCC1)NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29FN4O4S/c1-29-25(35)27(12-3-2-4-13-27)32-24(34)22-11-10-21(36-22)16-8-9-17(19(28)14-16)15-37-26-30-20-7-5-6-18(20)23(33)31-26/h8-11,14H,2-7,12-13,15H2,1H3,(H,29,35)(H,32,34)(H,30,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQPLCSWGMYVKEF-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
Protein ID: PT01276, Collagenase 3
Protein ID: PT00848, Interstitial collagenase
Protein ID: PT00900, Neutrophil collagenase