General Information of the Compound
| Compound ID |
CP0385722
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl N-[(2S)-1-(2,2-diphenylethylamino)-6-[[(3S)-2-[4-(4-fluorophenyl)-4-oxobutanoyl]-3,4-dihydro-1H-isoquinoline-3-carbonyl]amino]-1-oxohexan-2-yl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C45H51FN4O6
|
||||||||||||||||||
| Molecular Weight |
762.923
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CCC(=O)c1ccc(F)cc1)C(=O)NCC(c1ccccc1)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C45H51FN4O6/c1-45(2,3)56-44(55)49-38(42(53)48-29-37(31-14-6-4-7-15-31)32-16-8-5-9-17-32)20-12-13-27-47-43(54)39-28-34-18-10-11-19-35(34)30-50(39)41(52)26-25-40(51)33-21-23-36(46)24-22-33/h4-11,14-19,21-24,37-39H,12-13,20,25-30H2,1-3H3,(H,47,54)(H,48,53)(H,49,55)/t38-,39-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSQWQMRHJPZQNK-YDAXCOIMSA-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