General Information of the Compound
| Compound ID |
CP0439543
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
16-(hydroxymethyl)-10-[(propan-2-yloxy)methyl]-4,14,18-triazaheptacyclo[12.10.2.0^{2,6}.0^{7,26}.0^{8,13}.0^{18,25}.0^{19,24}]hexacosa-1(25),2(6),7(26),8,10,12,19(24),20,22-nonaen-3-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27N3O3
|
||||||||||||||||||
| Molecular Weight |
453.542
|
||||||||||||||||||
| Canonical SMILES |
CC(C)OCc1ccc2n3CC(CO)Cn4c5ccccc5c5c6C(=O)NCc6c(c2c1)c3c45
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27N3O3/c1-15(2)34-14-16-7-8-22-19(9-16)23-20-10-29-28(33)25(20)24-18-5-3-4-6-21(18)30-11-17(13-32)12-31(22)26(23)27(24)30/h3-9,15,17,32H,10-14H2,1-2H3,(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GMBNHFLNVFGDOH-UHFFFAOYSA-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