General Information of the Compound
| Compound ID |
CP0308054
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| Compound Name |
N-[(4-benzyl-2,3-dihydro-1,4-benzoxazin-2-yl)methyl]-2-(5-fluoro-1H-indol-3-yl)ethanamine
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| Structure |
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| Formula |
C26H26FN3O
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| Molecular Weight |
415.512
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| Canonical SMILES |
Fc1ccc2[nH]cc(CCNCC3CN(Cc4ccccc4)c4ccccc4O3)c2c1
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| InChI |
InChI=1S/C26H26FN3O/c27-21-10-11-24-23(14-21)20(15-29-24)12-13-28-16-22-18-30(17-19-6-2-1-3-7-19)25-8-4-5-9-26(25)31-22/h1-11,14-15,22,28-29H,12-13,16-18H2
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| InChIKey |
JRDGPFOLEBMUQC-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