General Information of the Compound
| Compound ID |
CP0462389
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[(2R,3S,4S,5R,6R)-6-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-3,4,5-trihydroxyoxan-2-yl]methyl]-4-(chloromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H32Cl2N2O5
|
||||||||||||||||||
| Molecular Weight |
595.523
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1[C@@H](CNC(=O)c2ccc(CCl)cc2)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H32Cl2N2O5/c33-15-19-6-10-22(11-7-19)31(40)35-16-26-28(37)29(38)30(39)32(41-26)36-17-23(27-24(34)2-1-3-25(27)36)14-18-4-8-20(9-5-18)21-12-13-21/h1-11,17,21,26,28-30,32,37-39H,12-16H2,(H,35,40)/t26-,28-,29+,30-,32-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GWYOLSGNVWWNCS-RRFVWWEKSA-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