General Information of the Compound
| Compound ID |
CP0577059
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5197827
Show/Hide
|
||||||||||||||||||
| Formula |
C27H33ClN6O3
|
||||||||||||||||||
| Molecular Weight |
525.053
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2ccc(N[C@H]3CC[C@H](CNc4ncc(cn4)C(CO)C(=O)NC4COC4)CC3)nc2c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33ClN6O3/c1-16-2-5-18-6-9-23(34-25(18)24(16)28)32-20-7-3-17(4-8-20)10-29-27-30-11-19(12-31-27)22(13-35)26(36)33-21-14-37-15-21/h2,5-6,9,11-12,17,20-22,35H,3-4,7-8,10,13-15H2,1H3,(H,32,34)(H,33,36)(H,29,30,31)/t17-,20-,22?
Show/Hide
|
||||||||||||||||||
| InChIKey |
AFTSDMFLFYYJPE-FCDKUWBWSA-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