General Information of the Compound
| Compound ID |
CP0544523
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8912224, 290
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H29N3O3S
|
||||||||||||||||||
| Molecular Weight |
475.614
|
||||||||||||||||||
| Canonical SMILES |
O=C(N1CCC2(C1)CCCNC2)c1cnc(Oc2ccc3O[C@@H](CCc3c2)c2ccccc2)s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H29N3O3S/c31-25(30-14-12-27(18-30)11-4-13-28-17-27)24-16-29-26(34-24)32-21-8-10-23-20(15-21)7-9-22(33-23)19-5-2-1-3-6-19/h1-3,5-6,8,10,15-16,22,28H,4,7,9,11-14,17-18H2/t22-,27?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GGGSFOJNKZODEW-YMQLSTQVSA-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