General Information of the Compound
| Compound ID |
CP0473372
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propyl]-1-[4-[3-[[amino-(naphthalen-2-ylamino)methylidene]amino]propyl-(N'-naphthalen-2-ylcarbamimidoyl)amino]butyl]-2-naphthalen-2-ylguanidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C54H58N12
|
||||||||||||||||||
| Molecular Weight |
875.142
|
||||||||||||||||||
| Canonical SMILES |
NC(Nc1ccc2ccccc2c1)=NCCCN(CCCCN(CCCN=C(N)Nc1ccc2ccccc2c1)C(N)=Nc1ccc2ccccc2c1)C(N)=Nc1ccc2ccccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C54H58N12/c55-51(61-47-25-21-39-13-1-5-17-43(39)35-47)59-29-11-33-65(53(57)63-49-27-23-41-15-3-7-19-45(41)37-49)31-9-10-32-66(54(58)64-50-28-24-42-16-4-8-20-46(42)38-50)34-12-30-60-52(56)62-48-26-22-40-14-2-6-18-44(40)36-48/h1-8,13-28,35-38H,9-12,29-34H2,(H2,57,63)(H2,58,64)(H3,55,59,61)(H3,56,60,62)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZIKDTTGHXGEHOX-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