General Information of the Compound
| Compound ID |
CP0383749
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[4-(3,4-dihydro-2H-[1,3]oxazino[3,2-a]indole-10-carbonyloxymethyl)piperidin-1-yl]methyl]tricyclo[2.2.1.02,6]heptane-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32N2O5
|
||||||||||||||||||
| Molecular Weight |
464.562
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1C2C3CC1C(CN1CCC(COC(=O)c4c5OCCCn5c5ccccc45)CC1)C23
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32N2O5/c30-26(31)23-17-12-18-21(22(18)23)19(17)13-28-9-6-15(7-10-28)14-34-27(32)24-16-4-1-2-5-20(16)29-8-3-11-33-25(24)29/h1-2,4-5,15,17-19,21-23H,3,6-14H2,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MNFZOFZTYRFIRF-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