General Information of the Compound
| Compound ID |
CP0413136
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-chloro-N-[[(2R,3R)-5-[(2R)-1-hydroxypropan-2-yl]-8-(methanesulfonamido)-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-2-yl]methyl]-N-methylbenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30ClN3O7S2
|
||||||||||||||||||
| Molecular Weight |
560.094
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc(NS(C)(=O)=O)cc2C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30ClN3O7S2/c1-15-12-27(16(2)14-28)23(29)20-11-18(25-35(4,30)31)7-10-21(20)34-22(15)13-26(3)36(32,33)19-8-5-17(24)6-9-19/h5-11,15-16,22,25,28H,12-14H2,1-4H3/t15-,16-,22+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
UJUHAFPZSMKGKI-MCFFVMPBSA-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