General Information of the Compound
| Compound ID |
CP0243904
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3037916
Show/Hide
|
||||||||||||||||||
| Formula |
C31H33N7O
|
||||||||||||||||||
| Molecular Weight |
519.653
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(nc2cc(ccc12)-c1nc([C@@H]2C[C@@H](C2)N2CCN(C)CC2)n2ccnc(N)c12)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H33N7O/c1-36-12-14-37(15-13-36)23-16-22(17-23)31-35-28(29-30(32)33-10-11-38(29)31)21-8-9-24-26(18-21)34-25(19-27(24)39-2)20-6-4-3-5-7-20/h3-11,18-19,22-23H,12-17H2,1-2H3,(H2,32,33)/t22-,23+
Show/Hide
|
||||||||||||||||||
| InChIKey |
RVZAMMSSLNGUOI-ZRZAMGCNSA-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