General Information of the Compound
| Compound ID |
CP0498625
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(4-methoxy-2,3,6-trimethylphenylsulfonamido)-N-(3-(4-methylpiperazin-1-yl)propyl)-3-phenylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H40N4O4S
|
||||||||||||||||||
| Molecular Weight |
516.708
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C)c(c(C)c1C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H40N4O4S/c1-20-18-25(35-5)21(2)22(3)26(20)36(33,34)29-24(19-23-10-7-6-8-11-23)27(32)28-12-9-13-31-16-14-30(4)15-17-31/h6-8,10-11,18,24,29H,9,12-17,19H2,1-5H3,(H,28,32)/t24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OQXDJAIBJBOXEG-DEOSSOPVSA-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