General Information of the Compound
| Compound ID |
CP0438213
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9139585, 24B
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35NO7
|
||||||||||||||||||
| Molecular Weight |
521.61
|
||||||||||||||||||
| Canonical SMILES |
C[C@H]1Cc2cc(ccc2C(=O)O1)C(O)CC1CC2COCC(C1)N2C[C@H](O)c1ccc2C(=O)OCc2c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35NO7/c1-16-7-20-11-19(3-4-24(20)30(35)38-16)27(32)10-18-8-21-13-36-14-22(9-18)31(21)12-28(33)23-5-6-25-26(17(23)2)15-37-29(25)34/h3-6,11,16,18,21-22,27-28,32-33H,7-10,12-15H2,1-2H3/t16-,18?,21?,22?,27?,28-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XCLAPDYAPNGHIZ-GGIJCJKVSA-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