General Information of the Compound
| Compound ID |
CP0513355
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9333195, 126
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H34NO3+
|
||||||||||||||||||
| Molecular Weight |
468.617
|
||||||||||||||||||
| Canonical SMILES |
O=C(O[C@H]1C[N+]2(CCCCc3ccccc3)CCC1CC2)C1c2ccccc2Oc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H34NO3/c33-31(30-25-13-4-6-15-27(25)34-28-16-7-5-14-26(28)30)35-29-22-32(20-17-24(29)18-21-32)19-9-8-12-23-10-2-1-3-11-23/h1-7,10-11,13-16,24,29-30H,8-9,12,17-22H2/q+1/t24?,29-,32?/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTTBVCTVCHNCGZ-KMXNVQKHSA-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