General Information of the Compound
| Compound ID |
CP0486123
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10618902, Compound I-255
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N5O5
|
||||||||||||||||||
| Molecular Weight |
451.483
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OC)cc(c1)-c1cc2cnc(N[C@@H]3COC[C@@H]3NC(=O)C=C)nc2n(C)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N5O5/c1-5-20(29)25-18-11-33-12-19(18)26-23-24-10-14-8-17(22(30)28(2)21(14)27-23)13-6-15(31-3)9-16(7-13)32-4/h5-10,18-19H,1,11-12H2,2-4H3,(H,25,29)(H,24,26,27)/t18-,19+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZGOHFREJPYORJ-RBUKOAKNSA-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