General Information of the Compound
| Compound ID |
CP0461886
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
16-(hydroxymethyl)-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 |
C24H19N3O2
|
||||||||||||||||||
| Molecular Weight |
381.435
|
||||||||||||||||||
| Canonical SMILES |
OCC1Cn2c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n(C1)c4c23
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H19N3O2/c28-12-13-10-26-17-7-3-1-5-14(17)19-16-9-25-24(29)21(16)20-15-6-2-4-8-18(15)27(11-13)23(20)22(19)26/h1-8,13,28H,9-12H2,(H,25,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZPSSSRXXEFOJTF-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