General Information of the Compound
| Compound ID |
CP0957205
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| Compound Name |
N,N-Dimethyl-1-(2,3-dimethylphenyl)-1H-indol-3-ethanamine fumarate
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| Structure |
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| Formula |
C24H28N2O4
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| Molecular Weight |
408.498
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| Canonical SMILES |
Cc1cccc(-n2cc(CCN(C)C)c3ccccc32)c1C.O=C(O)/C=C/C(=O)O
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| InChI |
InChI=1S/C20H24N2.C4H4O4/c1-15-8-7-11-19(16(15)2)22-14-17(12-13-21(3)4)18-9-5-6-10-20(18)22;5-3(6)1-2-4(7)8/h5-11,14H,12-13H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
RGGSPPDOOYFUSP-WLHGVMLRSA-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