General Information of the Compound
| Compound ID |
CP0388073
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL540980
Show/Hide
|
||||||||||||||||||
| Formula |
C30H43N5O4
|
||||||||||||||||||
| Molecular Weight |
537.705
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCN(CCCN2[C@H]3CC[C@@H]2C[C@@H](C3)NC(=O)c2cc3ccccc3n(C(C)C)c2=O)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H43N5O4/c1-4-39-30(38)33-16-14-32(15-17-33)12-7-13-34-24-10-11-25(34)20-23(19-24)31-28(36)26-18-22-8-5-6-9-27(22)35(21(2)3)29(26)37/h5-6,8-9,18,21,23-25H,4,7,10-17,19-20H2,1-3H3,(H,31,36)/t23-,24+,25-
Show/Hide
|
||||||||||||||||||
| InChIKey |
YFJVXDKQWHEAPD-QEIWAGNOSA-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