General Information of the Compound
| Compound ID |
CP0478330
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9481682, 209
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H32ClN7O3
|
||||||||||||||||||
| Molecular Weight |
586.096
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12)C(=O)Nc1cc(ccn1)C1CCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H32ClN7O3/c1-42-23-13-19(31(41)36-25-14-18(11-12-34-25)17-3-2-4-17)6-9-22(23)27-28-29(33)35-15-24(32)39(28)30(37-27)20-5-7-21-8-10-26(40)38(21)16-20/h6,9,11-15,17,20-21H,2-5,7-8,10,16H2,1H3,(H2,33,35)(H,34,36,41)/t20-,21+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFPLUGPITGEZKM-RTWAWAEBSA-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