General Information of the Compound
| Compound ID |
CP0535322
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| Compound Name |
3-(2-Dimethylamino-ethyl)-5-hydroxy-indole-1-carboxylic acid tert-butyl ester
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| Structure |
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| Formula |
C17H24N2O3
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| Molecular Weight |
304.39
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| Canonical SMILES |
CN(C)CCc1cn(C(=O)OC(C)(C)C)c2ccc(O)cc12
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| InChI |
InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-11-12(8-9-18(4)5)14-10-13(20)6-7-15(14)19/h6-7,10-11,20H,8-9H2,1-5H3
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| InChIKey |
XNGOFLDLWLHOJS-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