General Information of the Compound
| Compound ID |
CP0441087
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10336717, Compound 163
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29ClN4O2
|
||||||||||||||||||
| Molecular Weight |
452.986
|
||||||||||||||||||
| Canonical SMILES |
COC1CCC2(Cc3ccc(cc3C22N=C(N)N(C(C)C)C2=O)-c2cncc(Cl)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29ClN4O2/c1-15(2)30-22(31)25(29-23(30)27)21-11-16(18-10-19(26)14-28-13-18)4-5-17(21)12-24(25)8-6-20(32-3)7-9-24/h4-5,10-11,13-15,20H,6-9,12H2,1-3H3,(H2,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IEYSGHASPXBCSY-UHFFFAOYSA-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