General Information of the Compound
| Compound ID |
CP0935293
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID131413140
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H48F3N5O7
|
||||||||||||||||||
| Molecular Weight |
743.824
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)N(C)C[C@H]2OCCCC[C@@H](C)Oc3ccc(NC(=O)Nc4ccc(C(F)(F)F)cc4)cc3C(=O)N([C@@H](C)CO)C[C@@H]2C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H48F3N5O7/c1-24-21-46(25(2)23-47)35(48)32-20-30(43-36(49)42-28-11-9-27(10-12-28)38(39,40)41)15-18-33(32)53-26(3)8-6-7-19-52-34(24)22-45(4)37(50)44-29-13-16-31(51-5)17-14-29/h9-18,20,24-26,34,47H,6-8,19,21-23H2,1-5H3,(H,44,50)(H2,42,43,49)/t24-,25-,26+,34+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACQXGQRETPVUSO-BEAGFIRGSA-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