General Information of the Compound
| Compound ID |
CP0471772
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4238266
Show/Hide
|
||||||||||||||||||
| Formula |
C31H41F2N5OS
|
||||||||||||||||||
| Molecular Weight |
569.766
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1nnc(C)n1[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1csc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H41F2N5OS/c1-19(2)29-36-35-20(3)38(29)24-16-22-8-9-23(17-24)37(22)15-12-27(26-18-40-28-7-5-4-6-25(26)28)34-30(39)21-10-13-31(32,33)14-11-21/h4-7,18-19,21-24,27H,8-17H2,1-3H3,(H,34,39)/t22-,23+,24-,27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BUMYPVOXXHEQEG-LAOBSVPGSA-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