General Information of the Compound
| Compound ID |
CP0498072
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(20S)-4-Methyl-piperazine-1-carboxylic acid 4-ethyl-4-hydroxy-3,13-dioxo-3,4,12,13-tetrahydro-1H-2-oxa-6,12a-diaza-dibenzo[b,h]fluoren-9-yl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26N4O6
|
||||||||||||||||||
| Molecular Weight |
490.516
|
||||||||||||||||||
| Canonical SMILES |
CCC1(O)C(=O)OCc2c1cc1-c3nc4ccc(OC(=O)N5CCN(C)CC5)cc4cc3Cn1c2=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26N4O6/c1-3-26(34)19-12-21-22-16(13-30(21)23(31)18(19)14-35-24(26)32)10-15-11-17(4-5-20(15)27-22)36-25(33)29-8-6-28(2)7-9-29/h4-5,10-12,34H,3,6-9,13-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XYLYYRGBPXOAFE-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