General Information of the Compound
| Compound ID |
CP0278588
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(12S)-12-[(1R)-2-[[(4S)-6-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-1-hydroxyethyl]-17-pyridin-2-yl-1,13-diazatricyclo[13.3.1.16,10]icosa-6(20),7,9,15(19),16-pentaene-14,18-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H44N4O4
|
||||||||||||||||||
| Molecular Weight |
632.805
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@@H]3Cc4cccc(CCCCn5cc(cc(-c6ccccn6)c5=O)C(=O)N3)c4)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C39H44N4O4/c1-2-26-13-14-36-30(20-26)34(23-39(47-36)15-8-16-39)41-24-35(44)33-21-28-11-7-10-27(19-28)9-4-6-18-43-25-29(37(45)42-33)22-31(38(43)46)32-12-3-5-17-40-32/h3,5,7,10-14,17,19-20,22,25,33-35,41,44H,2,4,6,8-9,15-16,18,21,23-24H2,1H3,(H,42,45)/t33-,34-,35+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSMMKQOEZAECLV-PUPDPRJKSA-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