General Information of the Compound
| Compound ID |
CP0181682
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+)-3-(4-((cyclopropylmethyl)(1-oxo-1,2,3,7,8,9-hexahydropyrano[3,2-e]isoindol-8-yl)amino)butyl)-1H-indole-5-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H30N4O2
|
||||||||||||||||||
| Molecular Weight |
454.574
|
||||||||||||||||||
| Canonical SMILES |
O=C1NCc2ccc3OCC(Cc3c12)N(CCCCc1c[nH]c2ccc(cc12)C#N)CC1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H30N4O2/c29-13-19-6-8-25-23(11-19)20(14-30-25)3-1-2-10-32(16-18-4-5-18)22-12-24-26(34-17-22)9-7-21-15-31-28(33)27(21)24/h6-9,11,14,18,22,30H,1-5,10,12,15-17H2,(H,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MPWYHMZQNZPQHG-UHFFFAOYSA-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