General Information of the Compound
| Compound ID |
CP0419611
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3970774
Show/Hide
|
||||||||||||||||||
| Formula |
C30H38ClN3O5
|
||||||||||||||||||
| Molecular Weight |
556.103
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](N(C[C@H]1CC[C@@H](CC1)C(O)=O)Cc1ccc(OCCN2C(=O)CN(C)C2=O)c(C)c1)c1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H38ClN3O5/c1-20-16-23(6-13-27(20)39-15-14-34-28(35)19-32(3)30(34)38)18-33(21(2)24-9-11-26(31)12-10-24)17-22-4-7-25(8-5-22)29(36)37/h6,9-13,16,21-22,25H,4-5,7-8,14-15,17-19H2,1-3H3,(H,36,37)/t21-,22-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJXGGQVZGZULAQ-HWBMXIPRSA-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