General Information of the Compound
| Compound ID |
CP0465875
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9481682, 207
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H30ClN7O3
|
||||||||||||||||||
| Molecular Weight |
560.058
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccnc(NC(=O)c2ccc(-c3nc([C@@H]4CC[C@H]5CCC(=O)N5C4)n4c(Cl)cnc(N)c34)c(OC)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H30ClN7O3/c1-3-16-10-11-32-23(12-16)34-29(39)17-5-8-20(21(13-17)40-2)25-26-27(31)33-14-22(30)37(26)28(35-25)18-4-6-19-7-9-24(38)36(19)15-18/h5,8,10-14,18-19H,3-4,6-7,9,15H2,1-2H3,(H2,31,33)(H,32,34,39)/t18-,19+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HFZKAFSCNSDCPR-MOPGFXCFSA-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