General Information of the Compound
| Compound ID |
CP0381600
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-1-[(2S)-2-[1-(2-hydroxyethyl)piperidin-4-yl]-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-[(1S,2R)-2-[6-[[(1S,2R)-1-[[(2S)-1-[(2S)-2-[1-(2-hydroxyethyl)piperidin-4-yl]-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]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 |
C60H84N10O10
|
||||||||||||||||||
| Molecular Weight |
1105.392
|
||||||||||||||||||
| Canonical SMILES |
CN[C@@H](C)C(=O)N[C@@H](C1CCN(CCO)CC1)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](NC(=O)[C@H](C)NC)C1CCN(CCO)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C60H84N10O10/c1-39(61-3)55(73)63-51(41-21-27-67(28-22-41)31-33-71)59(77)69-25-13-19-47(69)57(75)65-53-45-17-9-7-15-43(45)37-49(53)79-35-11-5-6-12-36-80-50-38-44-16-8-10-18-46(44)54(50)66-58(76)48-20-14-26-70(48)60(78)52(64-56(74)40(2)62-4)42-23-29-68(30-24-42)32-34-72/h7-10,15-18,39-42,47-54,61-62,71-72H,13-14,19-38H2,1-4H3,(H,63,73)(H,64,74)(H,65,75)(H,66,76)/t39-,40-,47-,48-,49+,50+,51-,52-,53-,54-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFASPMNOOFKJRC-HFYWRKIQSA-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