General Information of the Compound
| Compound ID |
CP0055141
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S)-4-[2-(1-adamantyl)ethyl]-5-[(4-hydroxyphenyl)methyl]-1-[(2R)-1-[(2S)-2-[[(6R)-6-[(4-hydroxyphenyl)methyl]-2,3-dioxopiperazin-1-yl]methyl]pyrrolidin-1-yl]-3-naphthalen-2-ylpropan-2-yl]piperazine-2,3-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C52H61N5O6
|
||||||||||||||||||
| Molecular Weight |
852.089
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(C[C@@H]2CNC(=O)C(=O)N2C[C@@H]2CCCN2C[C@@H](Cc2ccc3ccccc3c2)N2C[C@H](Cc3ccc(O)cc3)N(CCC34CC5CC(CC(C5)C3)C4)C(=O)C2=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C52H61N5O6/c58-46-13-8-34(9-14-46)24-43-30-53-48(60)49(61)56(43)32-42-6-3-18-54(42)31-44(26-36-7-12-40-4-1-2-5-41(40)23-36)57-33-45(25-35-10-15-47(59)16-11-35)55(50(62)51(57)63)19-17-52-27-37-20-38(28-52)22-39(21-37)29-52/h1-2,4-5,7-16,23,37-39,42-45,58-59H,3,6,17-22,24-33H2,(H,53,60)/t37?,38?,39?,42-,43+,44+,45-,52?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SWCOKZUOBSVFCL-NROLRVEYSA-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 | |||||||||||||||||||