General Information of the Compound
| Compound ID |
CP0402227
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| Compound Name |
N-[2-(1H-benzimidazol-4-yloxy)ethyl]-3-(5-fluoro-1H-indol-3-yl)propan-1-amine
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| Structure |
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| Formula |
C20H21FN4O
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| Molecular Weight |
352.413
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCCNCCOc3cccc4nc[nH]c34)c2c1
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| InChI |
InChI=1S/C20H21FN4O/c21-15-6-7-17-16(11-15)14(12-23-17)3-2-8-22-9-10-26-19-5-1-4-18-20(19)25-13-24-18/h1,4-7,11-13,22-23H,2-3,8-10H2,(H,24,25)
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| InChIKey |
IJEMOGZEWHHTQP-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