General Information of the Compound
| Compound ID |
CP0462382
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[(2R,3S,4S,5R,6R)-6-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-3,4,5-trihydroxyoxan-2-yl]methyl]-3-(4-chlorophenyl)thiourea
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H31Cl2N3O4S
|
||||||||||||||||||
| Molecular Weight |
612.579
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1[C@@H](CNC(=S)Nc2ccc(Cl)cc2)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H31Cl2N3O4S/c32-21-10-12-22(13-11-21)35-31(41)34-15-25-27(37)28(38)29(39)30(40-25)36-16-20(26-23(33)2-1-3-24(26)36)14-17-4-6-18(7-5-17)19-8-9-19/h1-7,10-13,16,19,25,27-30,37-39H,8-9,14-15H2,(H2,34,35,41)/t25-,27-,28+,29-,30-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OUOCMCGUTBVWEG-LXRLAABLSA-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