General Information of the Compound
| Compound ID |
CP0253210
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[3-fluoro-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]phenyl]-N-[(2S)-1-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35FN4O5S
|
||||||||||||||||||
| Molecular Weight |
582.698
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C(=O)N[C@@H]1CCCC[C@H]1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35FN4O5S/c1-16(2)26(29(39)32-22-7-3-4-9-23(22)36)34-28(38)25-13-12-24(40-25)17-10-11-18(20(31)14-17)15-41-30-33-21-8-5-6-19(21)27(37)35-30/h10-14,16,22-23,26,36H,3-9,15H2,1-2H3,(H,32,39)(H,34,38)(H,33,35,37)/t22-,23-,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VKCAUAQYJOYAOZ-PLXFJCCSSA-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