General Information of the Compound
| Compound ID |
CP0494672
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
tert-butyl (2'S,3S)-1-[3-(1-methylindol-6-yl)phenyl]-2-oxo-2'-propan-2-ylspiro[indole-3,3'-pyrrolidine]-1'-carboxylate
Show/Hide
|
||||||||||||||||||
| Formula |
C34H37N3O3
|
||||||||||||||||||
| Molecular Weight |
535.688
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@@H]1N(CC[C@@]11C(=O)N(c2ccccc12)c1cccc(c1)-c1ccc2ccn(C)c2c1)C(=O)OC(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C34H37N3O3/c1-22(2)30-34(17-19-36(30)32(39)40-33(3,4)5)27-12-7-8-13-28(27)37(31(34)38)26-11-9-10-24(20-26)25-15-14-23-16-18-35(6)29(23)21-25/h7-16,18,20-22,30H,17,19H2,1-6H3/t30-,34-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NANNOADHYLZMPU-NHZFLZHXSA-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 | |||||||||||||||||||
| 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