General Information of the Compound
| Compound ID |
CP0234607
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 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]-5-chloropyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19ClF2N4O2S
|
||||||||||||||||||
| Molecular Weight |
452.914
|
||||||||||||||||||
| Canonical SMILES |
COC[C@]12C[C@H]1[C@](C)(N=C(N)S2)c1cc(NC(=O)c2ccc(Cl)cn2)cc(F)c1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19ClF2N4O2S/c1-19(15-7-20(15,9-29-2)30-18(24)27-19)12-5-11(6-13(22)16(12)23)26-17(28)14-4-3-10(21)8-25-14/h3-6,8,15H,7,9H2,1-2H3,(H2,24,27)(H,26,28)/t15-,19+,20+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HYUOULLGMKCVMR-CWFSZBLJSA-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