General Information of the Compound
| Compound ID |
CP0436074
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4545952
Show/Hide
|
||||||||||||||||||
| Formula |
C25H34N4O3S
|
||||||||||||||||||
| Molecular Weight |
470.639
|
||||||||||||||||||
| Canonical SMILES |
CN([C@H]1CC[C@@]2(COC(C)(C)C2)CC1)c1cc(ncn1)N1CCc2cc(ccc12)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H34N4O3S/c1-24(2)15-25(16-32-24)10-7-19(8-11-25)28(3)22-14-23(27-17-26-22)29-12-9-18-13-20(33(4,30)31)5-6-21(18)29/h5-6,13-14,17,19H,7-12,15-16H2,1-4H3/t19-,25+
Show/Hide
|
||||||||||||||||||
| InChIKey |
HLTLNRJMTCQWPJ-KJDSRRNHSA-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 | |||||||||||||||||||
| 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