General Information of the Compound
| Compound ID |
CP0542017
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8940771, 129
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H22ClN5O2S
|
||||||||||||||||||
| Molecular Weight |
419.938
|
||||||||||||||||||
| Canonical SMILES |
CC1(CC1)c1cc(ccn1)-c1sc(NC(=O)N2CCC[C@@]2(C)C(N)=O)nc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H22ClN5O2S/c1-18(6-7-18)12-10-11(4-8-22-12)13-14(20)23-16(28-13)24-17(27)25-9-3-5-19(25,2)15(21)26/h4,8,10H,3,5-7,9H2,1-2H3,(H2,21,26)(H,23,24,27)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DNULEWIOOBSRLM-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 | |||||||||||||||||||
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