General Information of the Compound
| Compound ID |
CP0436687
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2R)-1-(4-methylphenyl)sulfonyl-3-oxopiperazin-2-yl]-N-[(1R)-6-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H39N5O4S
|
||||||||||||||||||
| Molecular Weight |
553.729
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(Cc2ccc3[C@@H](CCCc3c2)NC(=O)C[C@H]2N(CCNC2=O)S(=O)(=O)c2ccc(C)cc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H39N5O4S/c1-21-6-9-24(10-7-21)39(37,38)34-13-12-30-29(36)27(34)19-28(35)31-26-5-3-4-23-18-22(8-11-25(23)26)20-33-16-14-32(2)15-17-33/h6-11,18,26-27H,3-5,12-17,19-20H2,1-2H3,(H,30,36)(H,31,35)/t26-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HACBZBQYXCQNIE-KAYWLYCHSA-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