General Information of the Compound
| Compound ID |
CP0424191
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2E)-3-[16-(hydroxymethyl)-5-oxo-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(13),9,11,19,21,23-nonaen-10-yl]prop-2-enoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H21N3O4
|
||||||||||||||||||
| Molecular Weight |
451.482
|
||||||||||||||||||
| Canonical SMILES |
OCC1Cn2c3ccccc3c3c4CNC(=O)c4c4c5cc(\C=C\C(O)=O)ccc5n(C1)c4c23
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H21N3O4/c31-13-15-11-29-19-4-2-1-3-16(19)22-18-10-28-27(34)24(18)23-17-9-14(6-8-21(32)33)5-7-20(17)30(12-15)26(23)25(22)29/h1-9,15,31H,10-13H2,(H,28,34)(H,32,33)/b8-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
DBQWWSHXYCOZKK-SOFGYWHQSA-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