General Information of the Compound
| Compound ID |
CP0228805
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4864332
Show/Hide
|
||||||||||||||||||
| Formula |
C26H37N5
|
||||||||||||||||||
| Molecular Weight |
419.617
|
||||||||||||||||||
| Canonical SMILES |
CN(C[C@H]1Cc2c(CN1)cccc2N[C@H]1CC[C@H](N)CC1)[C@H]1CCCc2cccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H37N5/c1-31(25-9-3-5-18-7-4-14-28-26(18)25)17-22-15-23-19(16-29-22)6-2-8-24(23)30-21-12-10-20(27)11-13-21/h2,4,6-8,14,20-22,25,29-30H,3,5,9-13,15-17,27H2,1H3/t20-,21-,22-,25+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKKUTHNPNXBEHD-XAISMOLKSA-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 | |||||||||||||||||||
| 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