General Information of the Compound
| Compound ID |
CP0568594
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-amino-5-chloro-2-methoxy-N-[(3R,4S)-3-methoxy-1-[[1-(2-methylpropanethioyl)piperidin-4-yl]methyl]piperidin-4-yl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H37ClN4O3S
|
||||||||||||||||||
| Molecular Weight |
497.105
|
||||||||||||||||||
| Canonical SMILES |
CO[C@@H]1CN(CC2CCN(CC2)C(=S)C(C)C)CC[C@@H]1NC(=O)c1cc(Cl)c(N)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H37ClN4O3S/c1-15(2)24(33)29-9-5-16(6-10-29)13-28-8-7-20(22(14-28)32-4)27-23(30)17-11-18(25)19(26)12-21(17)31-3/h11-12,15-16,20,22H,5-10,13-14,26H2,1-4H3,(H,27,30)/t20-,22+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LATYJVJEPRDPLZ-RBBKRZOGSA-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