General Information of the Compound
| Compound ID |
CP0672769
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| Compound Name |
2-Dimethylaminomethyl-9-hydroxythieno[2,3-c]isoquinolin-5(4H)-one hydrobromide
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| Structure |
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| Formula |
C14H15BrN2O2S
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| Molecular Weight |
355.257
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| Canonical SMILES |
Br.CN(C)Cc1cc2c([nH]c(=O)c3cccc(O)c32)s1
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| InChI |
InChI=1S/C14H14N2O2S.BrH/c1-16(2)7-8-6-10-12-9(4-3-5-11(12)17)13(18)15-14(10)19-8;/h3-6,17H,7H2,1-2H3,(H,15,18);1H
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| InChIKey |
ZUZXFEFLTIBJAB-UHFFFAOYSA-N
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| 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
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