General Information of the Compound
| Compound ID |
CP0566827
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R)-5-[[amino-[(1-phenyltriazol-4-yl)methylcarbamoylamino]methylidene]amino]-2-[(2,2-diphenylacetyl)amino]-N-[(4-hydroxyphenyl)methyl]pentanamide;2,2,2-trifluoroacetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C39H40F3N9O6
|
||||||||||||||||||
| Molecular Weight |
787.8
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C(F)(F)F.N\C(NCCC[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NCc1ccc(O)cc1)=N\C(=O)NCc1cn(nn1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C37H39N9O4.C2HF3O2/c38-36(43-37(50)41-24-29-25-46(45-44-29)30-15-8-3-9-16-30)39-22-10-17-32(34(48)40-23-26-18-20-31(47)21-19-26)42-35(49)33(27-11-4-1-5-12-27)28-13-6-2-7-14-28;3-2(4,5)1(6)7/h1-9,11-16,18-21,25,32-33,47H,10,17,22-24H2,(H,40,48)(H,42,49)(H4,38,39,41,43,50);(H,6,7)/t32-;/m1./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJDQAKNTRHZQKR-RYWNGCACSA-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