General Information of the Compound
| Compound ID |
CP0503870
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(4,6-dioxo-2,3,4,5,6,11-hexahydro-1H-5,11-diaza-benzo[a]trinden-8-yl)-thiazol-2-ylmethyl]-3-ethyl-urea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H21N5O3S
|
||||||||||||||||||
| Molecular Weight |
459.531
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)NCc1nc(cs1)-c1ccc2[nH]c3c4CCCc4c4C(=O)NC(=O)c4c3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H21N5O3S/c1-2-25-24(32)26-9-17-27-16(10-33-17)11-6-7-15-14(8-11)18-20-19(22(30)29-23(20)31)12-4-3-5-13(12)21(18)28-15/h6-8,10,28H,2-5,9H2,1H3,(H2,25,26,32)(H,29,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTLKWTKZXNWTSO-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