General Information of the Compound
| Compound ID |
CP0317039
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-tert-butoxy-2-(3-(3-mesitylureido)-2-naphthamido)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H33N3O5
|
||||||||||||||||||
| Molecular Weight |
491.588
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](COC(C)(C)C)C(O)=O)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H33N3O5/c1-16-11-17(2)24(18(3)12-16)31-27(35)30-22-14-20-10-8-7-9-19(20)13-21(22)25(32)29-23(26(33)34)15-36-28(4,5)6/h7-14,23H,15H2,1-6H3,(H,29,32)(H,33,34)(H2,30,31,35)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AXPIVZSOTIKADO-QHCPKHFHSA-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