General Information of the Compound
| Compound ID |
CP0863069
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S,8R,11R)-5-cyclopropyl-11-(4-fluorobenzyl)-7,8,16-trimethyl-4,5,7,8,10,11,13,14,15,16-decahydro-2H-benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-6,9,12(3H)-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H39FN4O4
|
||||||||||||||||||
| Molecular Weight |
538.664
|
||||||||||||||||||
| Canonical SMILES |
CC1CCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)NCCOc2ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H39FN4O4/c1-19-14-15-33-29(37)25(18-21-8-12-23(31)13-9-21)34-28(36)20(2)35(3)30(38)27(22-10-11-22)32-16-17-39-26-7-5-4-6-24(19)26/h4-9,12-13,19-20,22,25,27,32H,10-11,14-18H2,1-3H3,(H,33,37)(H,34,36)/t19?,20-,25-,27+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YTPFQOQOKPDTQY-XWMYMNJZSA-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