General Information of the Compound
| Compound ID |
CP0008002
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
XLi374, 5
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H24N6O7
|
||||||||||||||||||
| Molecular Weight |
604.579
|
||||||||||||||||||
| Canonical SMILES |
CN1Cc2c(ncn2-c2ccc(cc2C1=O)C#C)C(=O)OCOCOC(=O)c1ncn-2c1CN(C)C(=O)c1cc(ccc-21)C#C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H24N6O7/c1-5-19-7-9-23-21(11-19)29(39)35(3)13-25-27(33-15-37(23)25)31(41)44-17-43-18-45-32(42)28-26-14-36(4)30(40)22-12-20(6-2)8-10-24(22)38(26)16-34-28/h1-2,7-12,15-16H,13-14,17-18H2,3-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HTXVZFMUVDOMLN-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