General Information of the Compound
| Compound ID |
CP0578527
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S)-1-pyridin-4-ylethyl]-7,10-dioxa-13,17,18,21-tetrazatetracyclo[12.5.2.12,6.017,20]docosa-1(20),2(22),3,5,14(21),15,18-heptaene-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24N6O3
|
||||||||||||||||||
| Molecular Weight |
444.495
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)c1ccc-2cc1OCCOCCNc1ccn3ncc-2c3n1)c1ccncc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24N6O3/c1-16(17-4-7-25-8-5-17)28-24(31)19-3-2-18-14-21(19)33-13-12-32-11-9-26-22-6-10-30-23(29-22)20(18)15-27-30/h2-8,10,14-16H,9,11-13H2,1H3,(H,26,29)(H,28,31)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFVXISWLYSJERX-INIZCTEOSA-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 | |||||||||||||||||||
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