General Information of the Compound
| Compound ID |
CP0441246
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2R,3R)-2-[[(2-chlorophenyl)sulfonyl-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-8-yl]cyclohexanecarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H38ClN3O6S
|
||||||||||||||||||
| Molecular Weight |
592.158
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccccc2Cl)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H38ClN3O6S/c1-19-16-33(20(2)18-34)29(36)23-15-22(31-28(35)21-9-5-4-6-10-21)13-14-25(23)39-26(19)17-32(3)40(37,38)27-12-8-7-11-24(27)30/h7-8,11-15,19-21,26,34H,4-6,9-10,16-18H2,1-3H3,(H,31,35)/t19-,20-,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKERWEVZLHIASC-KYTVRQNUSA-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