General Information of the Compound
| Compound ID |
CP0558891
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methoxy-N-[2-[2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-1,3-benzothiazol-6-yl]-3-methyl-4-(2-pyrrolidin-1-ylethoxy)benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C33H38N4O5S2
|
||||||||||||||||||
| Molecular Weight |
634.824
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)[C@H](C)NC(=O)CSc1nc2ccc(NC(=O)c3ccc(OCCN4CCCC4)c(C)c3OC)cc2s1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H38N4O5S2/c1-21-28(42-18-17-37-15-5-6-16-37)14-12-26(31(21)41-4)32(39)35-24-9-13-27-29(19-24)44-33(36-27)43-20-30(38)34-22(2)23-7-10-25(40-3)11-8-23/h7-14,19,22H,5-6,15-18,20H2,1-4H3,(H,34,38)(H,35,39)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DQHLGSLPBSZCHY-QFIPXVFZSA-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 | |||||||||||||||||||
| 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