General Information of the Compound
| Compound ID |
CP0395966
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| Compound Name |
(2Z,5Z)-2-(5-chloro-2-oxo-1H-indol-3-ylidene)-3-[3-(diethylamino)propyl]-5-[(4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C25H26ClN3O3S
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| Molecular Weight |
484.021
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| Canonical SMILES |
CCN(CC)CCCn1c(=O)\c(=C\c2ccc(O)cc2)s\c1=C1/C(=O)Nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C25H26ClN3O3S/c1-3-28(4-2)12-5-13-29-24(32)21(14-16-6-9-18(30)10-7-16)33-25(29)22-19-15-17(26)8-11-20(19)27-23(22)31/h6-11,14-15,30H,3-5,12-13H2,1-2H3,(H,27,31)/b21-14-,25-22-
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| InChIKey |
PENOWFUWZBTBBO-MRAJOONFSA-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