General Information of the Compound
| Compound ID |
CP0141104
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-((1s,4s)-4-(4-amino-3,5-dichloro-N-cyclopropylbenzamido)cyclohexanecarboxamido)acetic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C19H23Cl2N3O4
|
||||||||||||||||||
| Molecular Weight |
428.316
|
||||||||||||||||||
| Canonical SMILES |
Nc1c(Cl)cc(cc1Cl)C(=O)N(C1CC1)[C@H]1CC[C@H](CC1)C(=O)NCC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23Cl2N3O4/c20-14-7-11(8-15(21)17(14)22)19(28)24(13-5-6-13)12-3-1-10(2-4-12)18(27)23-9-16(25)26/h7-8,10,12-13H,1-6,9,22H2,(H,23,27)(H,25,26)/t10-,12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
PIVHVYCTSLIOPL-KLPPZKSPSA-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