General Information of the Compound
| Compound ID |
CP0479525
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| Compound Name |
N-(3-chloro-4-methoxyphenyl)-3-nitro-N-[2-oxo-2-(2-phenylethylamino)-1-thiophen-2-ylethyl]propanamide
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| Formula |
C24H24ClN3O5S
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| Molecular Weight |
501.992
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| Canonical SMILES |
COc1ccc(cc1Cl)N(C(C(=O)NCCc1ccccc1)c1cccs1)C(=O)CC[N+]([O-])=O
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| InChI |
InChI=1S/C24H24ClN3O5S/c1-33-20-10-9-18(16-19(20)25)28(22(29)12-14-27(31)32)23(21-8-5-15-34-21)24(30)26-13-11-17-6-3-2-4-7-17/h2-10,15-16,23H,11-14H2,1H3,(H,26,30)
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| InChIKey |
DRWFWVHUIHTGGG-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