General Information of the Compound
| Compound ID |
CP0859226
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-isopropyl-N-((1R,3r,5S)-8-(5-(4-(methylsulfonyl)piperazin-1-yl)pentyl)-8-azabicyclo[3.2.1]octan-3-yl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C30H45N5O4S
|
||||||||||||||||||
| Molecular Weight |
571.788
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1c(=O)c(C(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3CCCCCN2CCN(S(C)(=O)=O)CC2)cc2ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H45N5O4S/c1-22(2)35-28-10-6-5-9-23(28)19-27(30(35)37)29(36)31-24-20-25-11-12-26(21-24)34(25)14-8-4-7-13-32-15-17-33(18-16-32)40(3,38)39/h5-6,9-10,19,22,24-26H,4,7-8,11-18,20-21H2,1-3H3,(H,31,36)/t24-,25+,26-
Show/Hide
|
||||||||||||||||||
| InChIKey |
YKXGIMSDZUVCMI-OOSCYNTBSA-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