General Information of the Compound
| Compound ID |
CP0860961
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID56319613
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29N5O6S
|
||||||||||||||||||
| Molecular Weight |
491.57
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCN(c2ccc(S(=O)(=O)N3CCCCC3)cc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29N5O6S/c1-2-24-12-14-25(15-13-24)19-7-6-17(34(31,32)26-10-4-3-5-11-26)16-18(19)23-22(28)20-8-9-21(33-20)27(29)30/h6-9,16H,2-5,10-15H2,1H3,(H,23,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MJAFQVWRTNXIHR-UHFFFAOYSA-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
Protein ID: PT06109, Geminin
Protein ID: PT06172, Mothers against decapentaplegic homolog 3