General Information of the Compound
| Compound ID |
CP0413959
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[(2R)-1-[4-(but-3-enylamino)-6-[(3-phenylphenyl)methylamino]-1,3,5-triazin-2-yl]pyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H34F3N7O2S
|
||||||||||||||||||
| Molecular Weight |
637.732
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1ccc(cc1)S(=O)(=O)NC[C@H]1CCCN1c1nc(NCCC=C)nc(NCc2cccc(c2)-c2ccccc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H34F3N7O2S/c1-2-3-18-36-29-39-30(37-21-23-9-7-12-25(20-23)24-10-5-4-6-11-24)41-31(40-29)42-19-8-13-27(42)22-38-45(43,44)28-16-14-26(15-17-28)32(33,34)35/h2,4-7,9-12,14-17,20,27,38H,1,3,8,13,18-19,21-22H2,(H2,36,37,39,40,41)/t27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RPWHHNUENZGVPT-HHHXNRCGSA-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