General Information of the Compound
| Compound ID |
CP0529514
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346829, 21
Show/Hide
|
||||||||||||||||||
| Formula |
C23H26N4O2
|
||||||||||||||||||
| Molecular Weight |
390.487
|
||||||||||||||||||
| Canonical SMILES |
CN1[C@H]2COC[C@@H]1C[C@@H](C2)NC(=O)c1cn(-c2cnccc2C)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26N4O2/c1-15-7-8-24-11-22(15)27-12-20(19-5-3-4-6-21(19)27)23(28)25-16-9-17-13-29-14-18(10-16)26(17)2/h3-8,11-12,16-18H,9-10,13-14H2,1-2H3,(H,25,28)/t16-,17-,18+
Show/Hide
|
||||||||||||||||||
| InChIKey |
MMXCIOJMFVOARD-NNZMDNLPSA-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 | |||||||||||||||||||
| 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