General Information of the Compound
| Compound ID |
CP0529356
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S,4R)-4-(N-((1H-imidazol-4-yl)methyl)-4-ethylphenylsulfonamido)-3-hydroxy-2,2-dimethyl-N-phenethylchroman-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H36N4O5S
|
||||||||||||||||||
| Molecular Weight |
588.73
|
||||||||||||||||||
| Canonical SMILES |
CCc1ccc(cc1)S(=O)(=O)N(Cc1cnc[nH]1)[C@H]1[C@H](O)C(C)(C)Oc2ccc(cc12)C(=O)NCCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H36N4O5S/c1-4-22-10-13-26(14-11-22)42(39,40)36(20-25-19-33-21-35-25)29-27-18-24(12-15-28(27)41-32(2,3)30(29)37)31(38)34-17-16-23-8-6-5-7-9-23/h5-15,18-19,21,29-30,37H,4,16-17,20H2,1-3H3,(H,33,35)(H,34,38)/t29-,30+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ICGQHBWRNYOVPM-IHLOFXLRSA-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