General Information of the Compound
| Compound ID |
CP0574485
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5175220
Show/Hide
|
||||||||||||||||||
| Formula |
C30H41F2N5O2S
|
||||||||||||||||||
| Molecular Weight |
573.754
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CCc2c(C1)nc(C)n2[C@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccsc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H41F2N5O2S/c1-19-33-27-17-35(20(2)38)12-8-28(27)37(19)25-15-23-3-4-24(16-25)36(23)13-7-26(22-9-14-40-18-22)34-29(39)21-5-10-30(31,32)11-6-21/h9,14,18,21,23-26H,3-8,10-13,15-17H2,1-2H3,(H,34,39)/t23-,24+,25-,26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CHNHYOHQPDHUOP-QYOOZWMWSA-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