General Information of the Compound
| Compound ID |
CP0890226
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID92763672
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C41H53N5O3S2
|
||||||||||||||||||
| Molecular Weight |
728.041
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(C[C@H]2CNC(=S)N2CC2CCCN2C[C@H](Cc2ccc(O)cc2)N2C[C@H](Cc3ccc(O)cc3)N(CC3CCCCC3)C2=S)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C41H53N5O3S2/c47-37-14-8-29(9-15-37)21-34-24-42-40(50)44(34)27-33-7-4-20-43(33)26-35(22-30-10-16-38(48)17-11-30)46-28-36(23-31-12-18-39(49)19-13-31)45(41(46)51)25-32-5-2-1-3-6-32/h8-19,32-36,47-49H,1-7,20-28H2,(H,42,50)/t33?,34-,35-,36-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
URKCJPXHIQHWTQ-SLORHJODSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8