General Information of the Compound
| Compound ID |
CP0087531
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S,3R)-4-[[(4S)-6-ethylspiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxy-1-(3-prop-2-enylphenyl)butan-2-yl]hex-5-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H44N2O3
|
||||||||||||||||||
| Molecular Weight |
516.726
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc2OC3(CCC3)C[C@H](NC[C@@H](O)[C@H](Cc3cccc(CC=C)c3)NC(=O)CCCC=C)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H44N2O3/c1-4-7-8-14-32(37)35-28(21-26-13-9-12-25(19-26)11-5-2)30(36)23-34-29-22-33(17-10-18-33)38-31-16-15-24(6-3)20-27(29)31/h4-5,9,12-13,15-16,19-20,28-30,34,36H,1-2,6-8,10-11,14,17-18,21-23H2,3H3,(H,35,37)/t28-,29-,30+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GFLGTJARAXRARU-OIFRRMEBSA-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