General Information of the Compound
| Compound ID |
CP0492973
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| Compound Name |
2-[amino(methyl)amino]-1-(2,3,4-trimethoxyphenyl)ethanol
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| Structure |
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| Formula |
C12H20N2O4
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| Molecular Weight |
256.302
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| Canonical SMILES |
COc1ccc(C(O)CN(C)N)c(OC)c1OC
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| InChI |
InChI=1S/C12H20N2O4/c1-14(13)7-9(15)8-5-6-10(16-2)12(18-4)11(8)17-3/h5-6,9,15H,7,13H2,1-4H3
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| InChIKey |
BFPHJTDYFNZRPQ-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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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound