General Information of the Compound
| Compound ID |
CP0579348
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(cyclopropylmethylamino)-6-(4-methoxyphenyl)-1'-(thiophen-3-ylmethyl)spiro[5H-pyrido[4,3-d]pyrimidine-8,3'-pyrrolidine]-7-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N5O2S
|
||||||||||||||||||
| Molecular Weight |
475.618
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)N1Cc2cnc(NCC3CC3)nc2C2(CCN(Cc3ccsc3)C2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N5O2S/c1-33-22-6-4-21(5-7-22)31-15-20-13-28-25(27-12-18-2-3-18)29-23(20)26(24(31)32)9-10-30(17-26)14-19-8-11-34-16-19/h4-8,11,13,16,18H,2-3,9-10,12,14-15,17H2,1H3,(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VRHTXDDAFPQHQM-UHFFFAOYSA-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 | |||||||||||||||||||
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