General Information of the Compound
| Compound ID |
CP0532562
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9221831, 8
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33N3O4
|
||||||||||||||||||
| Molecular Weight |
499.611
|
||||||||||||||||||
| Canonical SMILES |
CO[C@]12CC[C@@]3(C[C@@H]1COc1ccc(cc1)-n1ccnc1)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1C)c45
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33N3O4/c1-32-13-11-29-25-19-3-8-23(34)26(25)37-27(29)30(35-2)10-9-28(29,24(32)15-19)16-20(30)17-36-22-6-4-21(5-7-22)33-14-12-31-18-33/h3-8,12,14,18,20,24,27,34H,9-11,13,15-17H2,1-2H3/t20-,24-,27-,28-,29+,30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NILYQWCAXZIPIK-SNYCAXESSA-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