General Information of the Compound
| Compound ID |
CP0479659
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9346786, 45
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H30ClF2N5O3
|
||||||||||||||||||
| Molecular Weight |
594.062
|
||||||||||||||||||
| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1cc(ccn1)C#N)C(=O)Oc1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H30ClF2N5O3/c1-2-39(31(41)42-24-6-4-23(33)5-7-24)28-19-38(18-25(28)22-3-8-26(32)27(34)16-22)30(40)21-10-13-37(14-11-21)29-15-20(17-35)9-12-36-29/h3-9,12,15-16,21,25,28H,2,10-11,13-14,18-19H2,1H3/t25-,28+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PKACAWZKTGNOHP-LBNVMWSVSA-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