General Information of the Compound
| Compound ID |
CP0450711
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(phenylmethyl) N-[4-[phenylmethoxycarbonyl-[3-[(phenylmethyl)amino]propyl]amino]butyl]-N-[3-[(phenylmethyl)amino]propyl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H50N4O4
|
||||||||||||||||||
| Molecular Weight |
650.864
|
||||||||||||||||||
| Canonical SMILES |
O=C(OCc1ccccc1)N(CCCCN(CCCNCc1ccccc1)C(=O)OCc1ccccc1)CCCNCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H50N4O4/c45-39(47-33-37-21-9-3-10-22-37)43(29-15-25-41-31-35-17-5-1-6-18-35)27-13-14-28-44(40(46)48-34-38-23-11-4-12-24-38)30-16-26-42-32-36-19-7-2-8-20-36/h1-12,17-24,41-42H,13-16,25-34H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJHNORLJONUTKI-UHFFFAOYSA-N
|
||||||||||||||||||
| CAS |
203578-50-1
|
||||||||||||||||||
| 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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8