General Information of the Compound
| Compound ID |
CP0117834
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[3-fluoro-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]phenyl]-N-[(2R)-3-methyl-1-(oxetan-3-ylamino)-1-oxobutan-2-yl]furan-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29FN4O5S
|
||||||||||||||||||
| Molecular Weight |
540.617
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(=O)NC1COC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29FN4O5S/c1-14(2)23(26(35)29-17-11-36-12-17)31-25(34)22-9-8-21(37-22)15-6-7-16(19(28)10-15)13-38-27-30-20-5-3-4-18(20)24(33)32-27/h6-10,14,17,23H,3-5,11-13H2,1-2H3,(H,29,35)(H,31,34)(H,30,32,33)/t23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BSUOVTIVRRCZFN-HSZRJFAPSA-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