General Information of the Compound
| Compound ID |
CP0561610
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8536198, 60
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H37ClN2O3
|
||||||||||||||||||
| Molecular Weight |
497.079
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)CN(CC[C@]1(O)c1ccc(Cl)cc1)C(=O)[C@H]1CCCC[C@H]1NC(=O)CCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H37ClN2O3/c1-28(2)20-32(19-18-29(28,35)22-13-15-23(30)16-14-22)27(34)24-10-6-7-11-25(24)31-26(33)17-12-21-8-4-3-5-9-21/h3-5,8-9,13-16,24-25,35H,6-7,10-12,17-20H2,1-2H3,(H,31,33)/t24-,25+,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SJBDICBUQDEIOP-FVVBACEJSA-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