General Information of the Compound
| Compound ID |
CP0306501
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2S)-3-[(5R)-2-(6-amino-5-cyclopropylpyrimidin-4-yl)-2,9-diazaspiro[4.5]decan-9-yl]-2-hydroxypropyl]-2-bromobenzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H33BrN6O3S
|
||||||||||||||||||
| Molecular Weight |
565.538
|
||||||||||||||||||
| Canonical SMILES |
Nc1ncnc(N2CC[C@]3(C2)CCCN(C[C@H](O)CNS(=O)(=O)c2ccccc2Br)C3)c1C1CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H33BrN6O3S/c25-19-4-1-2-5-20(19)35(33,34)29-12-18(32)13-30-10-3-8-24(14-30)9-11-31(15-24)23-21(17-6-7-17)22(26)27-16-28-23/h1-2,4-5,16-18,29,32H,3,6-15H2,(H2,26,27,28)/t18-,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMRQMUWXHMJUBD-HOYKHHGWSA-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