General Information of the Compound
| Compound ID |
CP0525595
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(3-(4-(3-guanidinopropyl)piperazin-1-yl)phenyl)-6-chloroquinazolin-2-yl)guanidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29ClN10
|
||||||||||||||||||
| Molecular Weight |
481.008
|
||||||||||||||||||
| Canonical SMILES |
NC(N)=NCCCN1CCN(CC1)c1cccc(c1)-c1nc(N=C(N)N)nc2ccc(Cl)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29ClN10/c24-16-5-6-19-18(14-16)20(31-23(30-19)32-22(27)28)15-3-1-4-17(13-15)34-11-9-33(10-12-34)8-2-7-29-21(25)26/h1,3-6,13-14H,2,7-12H2,(H4,25,26,29)(H4,27,28,30,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KAOJUXMCBJOJNI-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 | |||||||||||||||||||
| 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