General Information of the Compound
| Compound ID |
CP0860342
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID85804240
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H45N3O8S3
|
||||||||||||||||||
| Molecular Weight |
707.937
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(S(=O)(=O)N(C)C[C@@H]2OCCCC[C@H](C)Oc3ccc(NS(=O)(=O)c4cccs4)cc3C(=O)N([C@H](C)CO)C[C@H]2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H45N3O8S3/c1-23-11-14-28(15-12-23)47(41,42)35(5)21-31-24(2)20-36(25(3)22-37)33(38)29-19-27(34-46(39,40)32-10-8-18-45-32)13-16-30(29)44-26(4)9-6-7-17-43-31/h8,10-16,18-19,24-26,31,34,37H,6-7,9,17,20-22H2,1-5H3/t24-,25-,26+,31+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HFWABMRXOKEYCK-PCEYSVKOSA-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