General Information of the Compound
| Compound ID |
CP0538153
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| Compound Name |
(2Z,5Z)-3-[3-(diethylamino)propyl]-5-[(3,4-difluorophenyl)methylidene]-2-(5-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C25H24F3N3O2S
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| Molecular Weight |
487.547
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| Canonical SMILES |
CCN(CC)CCCn1c(=O)\c(=C\c2ccc(F)c(F)c2)s\c1=C1/C(=O)Nc2ccc(F)cc12
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| InChI |
InChI=1S/C25H24F3N3O2S/c1-3-30(4-2)10-5-11-31-24(33)21(13-15-6-8-18(27)19(28)12-15)34-25(31)22-17-14-16(26)7-9-20(17)29-23(22)32/h6-9,12-14H,3-5,10-11H2,1-2H3,(H,29,32)/b21-13-,25-22-
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| InChIKey |
NPRJNAAUEYBLPR-PWJGIJTISA-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