General Information of the Compound
| Compound ID |
CP0458410
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-1-[(2S)-6-amino-2-[[(2S)-2-(methylamino)propanoyl]amino]hexanoyl]-N-[(1S,2R)-2-[6-[[(1S,2R)-1-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-(methylamino)propanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-2,3-dihydro-1H-inden-2-yl]oxy]hexa-2,4-diynoxy]-2,3-dihydro-1H-inden-1-yl]pyrrolidine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C54H76N10O8
|
||||||||||||||||||
| Molecular Weight |
993.264
|
||||||||||||||||||
| Canonical SMILES |
CN[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@@H](Cc2ccccc12)OCC#CC#CCO[C@@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C54H76N10O8/c1-35(57-3)49(65)59-41(23-11-13-27-55)53(69)63-29-17-25-43(63)51(67)61-47-39-21-9-7-19-37(39)33-45(47)71-31-15-5-6-16-32-72-46-34-38-20-8-10-22-40(38)48(46)62-52(68)44-26-18-30-64(44)54(70)42(24-12-14-28-56)60-50(66)36(2)58-4/h7-10,19-22,35-36,41-48,57-58H,11-14,17-18,23-34,55-56H2,1-4H3,(H,59,65)(H,60,66)(H,61,67)(H,62,68)/t35-,36-,41-,42-,43-,44-,45+,46+,47-,48-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LICYGAFBSQFABS-UHSSPTHGSA-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