General Information of the Compound
| Compound ID |
CP0506805
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8940771, 124
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29N5O3S
|
||||||||||||||||||
| Molecular Weight |
479.606
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)C(C)(C)c1cc(ccn1)-c1cnc(NC(=O)N2CCC[C@@]2(C)C(N)=O)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29N5O3S/c1-24(2,17-6-8-18(33-4)9-7-17)20-14-16(10-12-27-20)19-15-28-22(34-19)29-23(32)30-13-5-11-25(30,3)21(26)31/h6-10,12,14-15H,5,11,13H2,1-4H3,(H2,26,31)(H,28,29,32)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OKGVIWLMYFSFKJ-VWLOTQADSA-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