General Information of the Compound
| Compound ID |
CP0521860
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| Compound Name |
N-[(4-chlorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[(5-nitrothiophen-2-yl)methyl]methanamine
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| Structure |
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| Formula |
C21H19ClN2O4S
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| Molecular Weight |
430.913
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CN(CC2COc3ccccc3O2)Cc2ccc(Cl)cc2)s1
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| InChI |
InChI=1S/C21H19ClN2O4S/c22-16-7-5-15(6-8-16)11-23(13-18-9-10-21(29-18)24(25)26)12-17-14-27-19-3-1-2-4-20(19)28-17/h1-10,17H,11-14H2
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| InChIKey |
CZVVVMJVSLOVTG-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