General Information of the Compound
| Compound ID |
CP0269882
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(2-(2-(1-(7-aza-bicyclo[2.2.1]heptan-7-yl)-2-methyl-1-oxopropan-2-yl)-5-(3,5-dimethylphenyl)-6H-thieno[2,3-b]pyrrol-4-yl)propyl)-4-(pyridin-4-yl)piperidine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H47N5O2S
|
||||||||||||||||||
| Molecular Weight |
637.894
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CNC(=O)N1CCC(CC1)c1ccncc1)c1c([nH]c2sc(cc12)C(C)(C)C(=O)N1C2CCC1CC2)-c1cc(C)cc(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H47N5O2S/c1-23-18-24(2)20-28(19-23)34-33(25(3)22-40-37(45)42-16-12-27(13-17-42)26-10-14-39-15-11-26)31-21-32(46-35(31)41-34)38(4,5)36(44)43-29-6-7-30(43)9-8-29/h10-11,14-15,18-21,25,27,29-30,41H,6-9,12-13,16-17,22H2,1-5H3,(H,40,45)/t25-,29?,30?/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GLXJPWAPWKWSRZ-WDEPAJCISA-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