General Information of the Compound
| Compound ID |
CP0354529
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-3-methyl-5-prop-2-ynoxypyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24F2N4O3S
|
||||||||||||||||||
| Molecular Weight |
486.544
|
||||||||||||||||||
| Canonical SMILES |
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2ncc(OCC#C)cc2C)cc(F)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F2N4O3S/c1-5-6-33-15-7-13(2)20(28-11-15)21(31)29-14-8-16(19(26)17(25)9-14)23(3)18-10-24(18,12-32-4)34-22(27)30-23/h1,7-9,11,18H,6,10,12H2,2-4H3,(H2,27,30)(H,29,31)/t18-,23+,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YCXRAGJRMCYSLB-NTUVXCKYSA-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