General Information of the Compound
| Compound ID |
CP0495099
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(4-amino-3,5,12-triazatetracyclo[9.7.0.02,7.013,18]octadeca-1(11),2,4,6,13(18),14,16-heptaen-16-yl)pentan-3-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24N4O
|
||||||||||||||||||
| Molecular Weight |
336.439
|
||||||||||||||||||
| Canonical SMILES |
CCC(O)(CC)c1ccc2[nH]c3CCCc4cnc(N)nc4-c3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H24N4O/c1-3-20(25,4-2)13-8-9-15-14(10-13)17-16(23-15)7-5-6-12-11-22-19(21)24-18(12)17/h8-11,23,25H,3-7H2,1-2H3,(H2,21,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UURQNWXEVMJFBX-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 | |||||||||||||||||||
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