General Information of the Compound
| Compound ID |
CP0525412
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-spiro[1a,6a-dihydroindeno[1,2-b]oxirene-6,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H42N4O5
|
||||||||||||||||||
| Molecular Weight |
562.711
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccno1)C(=O)N1CCC2(CC1)C1OC1c1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H42N4O5/c1-3-20(2)26(31(39)36-17-14-32(15-18-36)23-12-8-7-11-22(23)27-28(32)40-27)35-29(37)24(19-21-9-5-4-6-10-21)34-30(38)25-13-16-33-41-25/h7-8,11-13,16,20-21,24,26-28H,3-6,9-10,14-15,17-19H2,1-2H3,(H,34,38)(H,35,37)/t20-,24-,26-,27?,28?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFDNWTTVZPQICT-QJHOAPEKSA-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