General Information of the Compound
| Compound ID |
CP0457476
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-Benzyloxy-1H-pyrido[3'4':4,5]pyrrolo[2,3-a]pyrrolo[3,4-c]carbazole-5,7(6H,12H)-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H16N4O3
|
||||||||||||||||||
| Molecular Weight |
432.439
|
||||||||||||||||||
| Canonical SMILES |
O=C1NC(=O)c2c1c1c3cnccc3[nH]c1c1[nH]c3ccc(OCc4ccccc4)cc3c21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H16N4O3/c31-25-21-19-15-10-14(33-12-13-4-2-1-3-5-13)6-7-17(15)28-23(19)24-20(22(21)26(32)30-25)16-11-27-9-8-18(16)29-24/h1-11,28-29H,12H2,(H,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PJHIDXBBDKQFEC-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