General Information of the Compound
| Compound ID |
CP0527675
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[4-(4-benzylpiperazin-1-yl)-6-(1H-indol-3-ylsulfanyl)pyrimidin-2-yl]-3-phenylurea
Show/Hide
|
||||||||||||||||||
| Formula |
C30H29N7OS
|
||||||||||||||||||
| Molecular Weight |
535.677
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccccc1)Nc1nc(Sc2c[nH]c3ccccc23)cc(n1)N1CCN(Cc2ccccc2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H29N7OS/c38-30(32-23-11-5-2-6-12-23)35-29-33-27(37-17-15-36(16-18-37)21-22-9-3-1-4-10-22)19-28(34-29)39-26-20-31-25-14-8-7-13-24(25)26/h1-14,19-20,31H,15-18,21H2,(H2,32,33,34,35,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZLRXVBXYBMGQY-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 | |||||||||||||||||||
| 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