General Information of the Compound
| Compound ID |
CP0259035
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-[(1-propanoylpiperidin-3-yl)methyl]piperidin-4-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H35ClN4O4
|
||||||||||||||||||
| Molecular Weight |
467.01
|
||||||||||||||||||
| Canonical SMILES |
CCC(=O)N1CCCC(CN2CC[C@H](NC(=O)c3cc(Cl)c(N)cc3OC)[C@@H](C2)OC)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H35ClN4O4/c1-4-22(29)28-8-5-6-15(13-28)12-27-9-7-19(21(14-27)32-3)26-23(30)16-10-17(24)18(25)11-20(16)31-2/h10-11,15,19,21H,4-9,12-14,25H2,1-3H3,(H,26,30)/t15?,19-,21+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DCWAGQKXFPPXMY-PLIICFKJSA-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