General Information of the Compound
| Compound ID |
CP0540205
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| Compound Name |
(2Z,5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[2-(dimethylamino)ethyl]-2-(2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C23H21N3O4S
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| Molecular Weight |
435.505
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| Canonical SMILES |
CN(C)CCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1/C(=O)Nc2ccccc12
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| InChI |
InChI=1S/C23H21N3O4S/c1-25(2)9-10-26-22(28)19(12-14-7-8-17-18(11-14)30-13-29-17)31-23(26)20-15-5-3-4-6-16(15)24-21(20)27/h3-8,11-12H,9-10,13H2,1-2H3,(H,24,27)/b19-12-,23-20-
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| InChIKey |
DYQUPEWWEWCFBW-PCZWAXSUSA-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