General Information of the Compound
| Compound ID |
CP0364042
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
ethyl (4S)-6-bromo-4-(1H-indazole-7-carbonylamino)spiro[3,4-dihydrochromene-2,4'-piperidine]-1'-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25BrN4O4
|
||||||||||||||||||
| Molecular Weight |
513.392
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCC2(CC1)C[C@H](NC(=O)c1cccc3cn[nH]c13)c1cc(Br)ccc1O2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25BrN4O4/c1-2-32-23(31)29-10-8-24(9-11-29)13-19(18-12-16(25)6-7-20(18)33-24)27-22(30)17-5-3-4-15-14-26-28-21(15)17/h3-7,12,14,19H,2,8-11,13H2,1H3,(H,26,28)(H,27,30)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XVMOVNVQGRDOCX-IBGZPJMESA-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 | |||||||||||||||||||
Table of Molecular Bioactivities Related to the Compound