General Information of the Compound
| Compound ID |
CP0502947
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| Compound Name |
1-(4-chlorophenyl)-N-(naphthalen-2-ylmethyl)-N-[(5-nitrothiophen-2-yl)methyl]methanamine
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| Structure |
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| Formula |
C23H19ClN2O2S
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| Molecular Weight |
422.937
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CN(Cc2ccc(Cl)cc2)Cc2ccc3ccccc3c2)s1
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| InChI |
InChI=1S/C23H19ClN2O2S/c24-21-9-6-17(7-10-21)14-25(16-22-11-12-23(29-22)26(27)28)15-18-5-8-19-3-1-2-4-20(19)13-18/h1-13H,14-16H2
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| InChIKey |
SPMJBMQFKPZXIY-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