General Information of the Compound
| Compound ID |
CP0540003
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4649879
Show/Hide
|
||||||||||||||||||
| Formula |
C27H33N5O3
|
||||||||||||||||||
| Molecular Weight |
475.593
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)c1cnc2ccc(nc2c1N[C@H]1CC[C@H](CN(C)C)CC1)-c1ccc(cc1)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33N5O3/c1-4-35-27(34)21-15-29-23-14-13-22(18-7-9-19(10-8-18)26(28)33)31-25(23)24(21)30-20-11-5-17(6-12-20)16-32(2)3/h7-10,13-15,17,20H,4-6,11-12,16H2,1-3H3,(H2,28,33)(H,29,30)/t17-,20-
Show/Hide
|
||||||||||||||||||
| InChIKey |
WMSLRMOHOTWOLV-IRJFHVNHSA-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