General Information of the Compound
| Compound ID |
CP0161769
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| Compound Name |
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-2-(5-fluoro-1H-indol-3-yl)ethanamine
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| Structure |
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| Formula |
C19H20FN3O
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| Molecular Weight |
325.387
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCNCC3CNc4ccccc4O3)c2c1
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| InChI |
InChI=1S/C19H20FN3O/c20-14-5-6-17-16(9-14)13(10-22-17)7-8-21-11-15-12-23-18-3-1-2-4-19(18)24-15/h1-6,9-10,15,21-23H,7-8,11-12H2
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| InChIKey |
KLDBYHMHFQMIME-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