General Information of the Compound
| Compound ID |
CP0495636
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[1-[(4-cyanophenyl)methyl]pyrrolidin-3-yl]-3-(4-hydroxyphenyl)-2-[[4-(morpholine-4-carbonyl)phenyl]carbamoylamino]propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H36N6O5
|
||||||||||||||||||
| Molecular Weight |
596.688
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(C[C@H](NC(=O)Nc2ccc(cc2)C(=O)N2CCOCC2)C(=O)NC2CCN(Cc3ccc(cc3)C#N)C2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H36N6O5/c34-20-24-1-3-25(4-2-24)21-38-14-13-28(22-38)35-31(41)30(19-23-5-11-29(40)12-6-23)37-33(43)36-27-9-7-26(8-10-27)32(42)39-15-17-44-18-16-39/h1-12,28,30,40H,13-19,21-22H2,(H,35,41)(H2,36,37,43)/t28?,30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FHUAGMIMNACXJX-TXDWVUBVSA-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: PT01310, Muscarinic acetylcholine receptor M1
Protein ID: PT01198, Muscarinic acetylcholine receptor M2
Protein ID: PT01266, Muscarinic acetylcholine receptor M3