General Information of the Compound
| Compound ID |
CP0519533
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9221831, 85
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H42N2O5
|
||||||||||||||||||
| Molecular Weight |
510.675
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](N)C(=O)OC[C@H]1C[C@]23CC[C@]1(OC)[C@@H]1Oc4c5c(C[C@H]2N(CC2CC2)CC[C@@]315)ccc4O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H42N2O5/c1-4-17(2)24(31)26(34)36-16-20-14-28-9-10-30(20,35-3)27-29(28)11-12-32(15-18-5-6-18)22(28)13-19-7-8-21(33)25(37-27)23(19)29/h7-8,17-18,20,22,24,27,33H,4-6,9-16,31H2,1-3H3/t17-,20+,22+,24-,27+,28+,29-,30+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AGUKEFSLHJXTQC-WLQXWTRFSA-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