General Information of the Compound
| Compound ID |
CP0893418
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID87336780
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34ClF3N4O3
|
||||||||||||||||||
| Molecular Weight |
603.085
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)C(=O)[C@H]1C[C@H](CC(=O)NCc2cccc(C(F)(F)F)c2)C(=O)N2CCc3c([nH]c4ccc(Cl)cc34)[C@]12C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34ClF3N4O3/c1-4-38(5-2)29(42)24-14-19(15-26(40)36-17-18-7-6-8-20(13-18)31(33,34)35)28(41)39-12-11-22-23-16-21(32)9-10-25(23)37-27(22)30(24,39)3/h6-10,13,16,19,24,37H,4-5,11-12,14-15,17H2,1-3H3,(H,36,40)/t19-,24-,30+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KCZXPFNUSXBIMQ-OKHRZSFNSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3