General Information of the Compound
| Compound ID |
CP0579832
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(7R,11S)-11-(3,3-difluorobutyl)-8-ethyl-3-methoxy-7-methyl-13,17-dioxa-5,8,10,19,20,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),20,22-heptaen-9-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H34F2N6O4
|
||||||||||||||||||
| Molecular Weight |
532.592
|
||||||||||||||||||
| Canonical SMILES |
CCN1[C@H](C)c2cc(c(OC)cn2)-c2cc3ccnn3c(OCCCOC[C@H](CCC(C)(F)F)NC1=O)n2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H34F2N6O4/c1-5-33-17(2)21-14-20(23(36-4)15-29-21)22-13-19-8-10-30-34(19)25(32-22)38-12-6-11-37-16-18(31-24(33)35)7-9-26(3,27)28/h8,10,13-15,17-18H,5-7,9,11-12,16H2,1-4H3,(H,31,35)/t17-,18+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VAULSDDAUYFKCE-MSOLQXFVSA-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