General Information of the Compound
| Compound ID |
CP0349460
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| Compound Name |
[6-[(4-methylphenyl)sulfanylmethyl]-4-oxopyran-3-yl] 4-chloro-3-nitrobenzoate
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| Structure |
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| Formula |
C20H14ClNO6S
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| Molecular Weight |
431.853
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| Canonical SMILES |
Cc1ccc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)c(c3)[N+]([O-])=O)co2)cc1
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| InChI |
InChI=1S/C20H14ClNO6S/c1-12-2-5-15(6-3-12)29-11-14-9-18(23)19(10-27-14)28-20(24)13-4-7-16(21)17(8-13)22(25)26/h2-10H,11H2,1H3
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| InChIKey |
WQENELGYPMNPMO-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