General Information of the Compound
| Compound ID |
CP0885380
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| Compound Name |
3-{1-(3'-Nitro-biphenyl-4-yloxymethyl)-3-[4-(pyrrolidine-1-carbonyl)-phenyl]-propyl}-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C30H29N3O6S
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| Molecular Weight |
559.644
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| Canonical SMILES |
O=C(c1ccc(CCC(COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CSC2=O)cc1)N1CCCC1
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| InChI |
InChI=1S/C30H29N3O6S/c34-28-20-40-30(36)32(28)26(13-8-21-6-9-23(10-7-21)29(35)31-16-1-2-17-31)19-39-27-14-11-22(12-15-27)24-4-3-5-25(18-24)33(37)38/h3-7,9-12,14-15,18,26H,1-2,8,13,16-17,19-20H2
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| InChIKey |
SZAQVEZCCLNZIX-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