General Information of the Compound
| Compound ID |
CP0471127
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(NE)-N-[6-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyrrolo[1,2-c]pyrimidin-3-ylchromen-4-ylidene]hydroxylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25N5O3
|
||||||||||||||||||
| Molecular Weight |
419.485
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CCOc2ccc3oc(c\c(=N/O)c3c2)-c2cc3cccn3cn2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25N5O3/c1-26-7-9-27(10-8-26)11-12-30-18-4-5-22-19(14-18)20(25-29)15-23(31-22)21-13-17-3-2-6-28(17)16-24-21/h2-6,13-16,29H,7-12H2,1H3/b25-20+
Show/Hide
|
||||||||||||||||||
| InChIKey |
LUCQIBWPMZFNLN-LKUDQCMESA-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