General Information of the Compound
| Compound ID |
CP0493027
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(10S,14R)-N,14-dimethyl-6-(2-methylsulfonylpropan-2-yl)-N-(1H-pyrazol-5-yl)-8,12-dioxa-1,3,5-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H26N6O4S
|
||||||||||||||||||
| Molecular Weight |
422.511
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1COC[C@H]2COc3c(nc(nc3C(C)(C)S(C)(=O)=O)N(C)c3ccn[nH]3)N12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H26N6O4S/c1-11-8-27-9-12-10-28-14-15(18(2,3)29(5,25)26)20-17(21-16(14)24(11)12)23(4)13-6-7-19-22-13/h6-7,11-12H,8-10H2,1-5H3,(H,19,22)/t11-,12+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IRAFDUYEUVGWMA-NEPJUHHUSA-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