General Information of the Compound
| Compound ID |
CP0421134
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| Compound Name |
N-[(4-chlorophenyl)methyl]-1-cyclohexyl-N-[(5-nitrothiophen-2-yl)methyl]methanamine
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| Structure |
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| Formula |
C19H23ClN2O2S
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| Molecular Weight |
378.925
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| Canonical SMILES |
[O-][N+](=O)c1ccc(CN(CC2CCCCC2)Cc2ccc(Cl)cc2)s1
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| InChI |
InChI=1S/C19H23ClN2O2S/c20-17-8-6-16(7-9-17)13-21(12-15-4-2-1-3-5-15)14-18-10-11-19(25-18)22(23)24/h6-11,15H,1-5,12-14H2
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| InChIKey |
BQOFXNUJAUHULF-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