General Information of the Compound
| Compound ID |
CP0540090
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| Compound Name |
(E)-2-(2-Chloro-phenyl)-3-[2-nitro-5-(thiophen-3-ylmethoxy)-phenyl]-prop-2-en-1-ol
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| Structure |
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| Formula |
C20H16ClNO4S
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| Molecular Weight |
401.871
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| Canonical SMILES |
OC\C(=C\c1cc(OCc2ccsc2)ccc1[N+]([O-])=O)c1ccccc1Cl
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| InChI |
InChI=1S/C20H16ClNO4S/c21-19-4-2-1-3-18(19)16(11-23)9-15-10-17(5-6-20(15)22(24)25)26-12-14-7-8-27-13-14/h1-10,13,23H,11-12H2/b16-9-
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| InChIKey |
ANMVATUFZROAEI-SXGWCWSVSA-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