General Information of the Compound
| Compound ID |
CP0915636
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5S,11S)-5-sec-butyl-11-(3-chlorobenzyl)-19-fluoro-7-methyl-2,3,4,5,10,11,13,14,15,16-decahydrospiro[benzo[q][1,4,7,10,13]oxatetraazacyclooctadecine-8,1'-cyclopentane]-6,9,12(7H)-trione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H44ClFN4O4
|
||||||||||||||||||
| Molecular Weight |
615.19
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@@H]1NCCOc2cc(F)ccc2CCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)N(C)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H44ClFN4O4/c1-4-22(2)29-31(41)39(3)33(14-5-6-15-33)32(42)38-27(20-23-9-7-11-25(34)19-23)30(40)37-16-8-10-24-12-13-26(35)21-28(24)43-18-17-36-29/h7,9,11-13,19,21-22,27,29,36H,4-6,8,10,14-18,20H2,1-3H3,(H,37,40)(H,38,42)/t22-,27-,29-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SEPUXIOOYGXLKB-NVLPUFGLSA-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