General Information of the Compound
| Compound ID |
CP0571863
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[2-[6-[[2-[2-[[(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]amino]-2-oxoethoxy]acetyl]amino]hexylamino]-2-oxoethoxy]-N-methylacetamide
Show/Hide
|
||||||||||||||||||
| Formula |
C35H51N5O9
|
||||||||||||||||||
| Molecular Weight |
685.819
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)COCC(=O)NCCCCCCNC(=O)COCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C35H51N5O9/c1-36-27(42)18-47-19-28(43)37-13-4-2-3-5-14-38-29(44)20-48-21-30(45)39-24-10-11-35(46)26-16-23-8-9-25(41)32-31(23)34(35,33(24)49-32)12-15-40(26)17-22-6-7-22/h8-9,22,24,26,33,41,46H,2-7,10-21H2,1H3,(H,36,42)(H,37,43)(H,38,44)(H,39,45)/t24-,26-,33+,34+,35-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UAKWJXZINZIHCF-NHWJDKKBSA-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 | |||||||||||||||||||
| 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