General Information of the Compound
Compound ID |
CP0138734
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
(S)-4-(2-(3-chlorophenyl)-2-hydroxyethylamino)-3-(4-methyl-6-(4-(4-(1-methylpiperazine-4-carbonyl)piperazin-1-yl)piperidin-1-yl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C36H46ClN9O3
|
||||||||||||||||||
Molecular Weight |
688.277
|
||||||||||||||||||
Canonical SMILES |
CN1CCN(CC1)C(=O)N1CCN(CC1)C1CCN(CC1)c1cc(C)c2nc([nH]c2c1)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C36H46ClN9O3/c1-24-20-28(43-10-7-27(8-11-43)44-16-18-46(19-17-44)36(49)45-14-12-42(2)13-15-45)22-30-33(24)41-34(40-30)32-29(6-9-38-35(32)48)39-23-31(47)25-4-3-5-26(37)21-25/h3-6,9,20-22,27,31,47H,7-8,10-19,23H2,1-2H3,(H,40,41)(H2,38,39,48)/t31-/m1/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
PXCKFKLPESDHTQ-WJOKGBTCSA-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