General Information of the Compound
| Compound ID |
CP0910487
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(6aR)-2-((R)-2-amino-3-methoxy-3-oxopropylthio)-10,11-dihydroxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolinium dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H26Cl2N2O4S
|
||||||||||||||||||
| Molecular Weight |
473.422
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@@H](N)CSc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24N2O4S.2ClH/c1-23-6-5-12-7-13(28-10-15(22)21(26)27-2)9-14-18(12)16(23)8-11-3-4-17(24)20(25)19(11)14;;/h3-4,7,9,15-16,24-25H,5-6,8,10,22H2,1-2H3;2*1H/t15-,16+;;/m0../s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DCGKBYQRCWDKJS-SLAHTUFOSA-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