General Information of the Compound
| Compound ID |
CP0571958
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| Compound Name |
(5Z)-5-[(3-chloro-4-hydroxyphenyl)methylidene]-3-(1,1-dioxothian-4-yl)-2-propylimino-1,3-thiazolidin-4-one
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| Formula |
C18H21ClN2O4S2
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| Molecular Weight |
428.963
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| Canonical SMILES |
CCC\N=C1/S\C(=C/c2ccc(O)c(Cl)c2)C(=O)N1C1CCS(=O)(=O)CC1
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| InChI |
InChI=1S/C18H21ClN2O4S2/c1-2-7-20-18-21(13-5-8-27(24,25)9-6-13)17(23)16(26-18)11-12-3-4-15(22)14(19)10-12/h3-4,10-11,13,22H,2,5-9H2,1H3/b16-11-,20-18-
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| InChIKey |
DCHUONAVEMSXKH-JTHVCAJSSA-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