General Information of the Compound
| Compound ID |
CP0577337
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9163012, 71
Show/Hide
|
||||||||||||||||||
| Formula |
C24H29ClN4O4
|
||||||||||||||||||
| Molecular Weight |
472.973
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2cccc(Cl)c2n([C@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H29ClN4O4/c1-27-18-4-2-3-17(25)19(18)29(22(27)31)16-5-6-28(12-16)23(32)33-20-14-7-13-8-15(20)11-24(9-13,10-14)21(26)30/h2-4,13-16,20H,5-12H2,1H3,(H2,26,30)/t13?,14?,15?,16-,20-,24-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJSNZUYKOMIGMW-GCGUKOCHSA-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