General Information of the Compound
| Compound ID |
CP0418153
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9303015, 28
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H29ClF3N5O3
|
||||||||||||||||||
| Molecular Weight |
612.052
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)c1nc2ccc(cc2c(c1Oc1ccc(Cl)cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(OC)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H29ClF3N5O3/c1-5-40(6-2)29-28(43-22-11-9-21(32)10-12-22)27(31(33,34)35)23-15-19(7-13-24(23)38-29)30(41,25-17-36-18-39(25)3)20-8-14-26(42-4)37-16-20/h7-18,41H,5-6H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
FZNXQPHQEMTZMH-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