General Information of the Compound
| Compound ID |
CP0402786
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl N-[(2S)-1-[(2S)-2-[[4-[(2S,5S)-1-[4-[tert-butyl(dimethyl)silyl]phenyl]-5-[4-[[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C52H73N7O8Si
|
||||||||||||||||||
| Molecular Weight |
952.283
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(cc1)[C@@H]1CC[C@H](N1c1ccc(cc1)[Si](C)(C)C(C)(C)C)c1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)OC)C(C)C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C52H73N7O8Si/c1-32(2)44(55-50(64)66-8)48(62)57-30-12-14-42(57)46(60)53-36-20-16-34(17-21-36)40-28-29-41(59(40)38-24-26-39(27-25-38)68(10,11)52(5,6)7)35-18-22-37(23-19-35)54-47(61)43-15-13-31-58(43)49(63)45(33(3)4)56-51(65)67-9/h16-27,32-33,40-45H,12-15,28-31H2,1-11H3,(H,53,60)(H,54,61)(H,55,64)(H,56,65)/t40-,41-,42-,43-,44-,45-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IZKGNNHRPMYEAY-RCWIFLETSA-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