General Information of the Compound
| Compound ID |
CP0293287
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8551978, I-33
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C49H52N6O7
|
||||||||||||||||||
| Molecular Weight |
836.99
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cc(ccc1C)C(=O)Nc1cccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C49H52N6O7/c1-32-15-16-35(48(60)51-36-12-8-9-33(29-36)21-25-50-31-44(57)39-17-19-43(56)47-40(39)18-20-45(58)53-47)30-42(32)54(2)46(59)24-28-55-26-22-37(23-27-55)62-49(61)52-41-14-7-6-13-38(41)34-10-4-3-5-11-34/h3-20,29-30,37,44,50,56-57H,21-28,31H2,1-2H3,(H,51,60)(H,52,61)(H,53,58)/t44-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FNYJMACZWQRMGE-SJARJILFSA-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01266, Muscarinic acetylcholine receptor M3