General Information of the Compound
| Compound ID |
CP0452391
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| Compound Name |
3-[3-(2,4-dichlorophenyl)propoxy]-6-methyl-2-nitropyridine
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| Structure |
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| Formula |
C15H14Cl2N2O3
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| Molecular Weight |
341.194
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| Canonical SMILES |
Cc1ccc(OCCCc2ccc(Cl)cc2Cl)c(n1)[N+]([O-])=O
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| InChI |
InChI=1S/C15H14Cl2N2O3/c1-10-4-7-14(15(18-10)19(20)21)22-8-2-3-11-5-6-12(16)9-13(11)17/h4-7,9H,2-3,8H2,1H3
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| InChIKey |
VCVIFVBGBHTVOV-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