General Information of the Compound
| Compound ID |
CP0471972
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| Compound Name |
(2E,5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(diethylamino)propyl]-2-(6-fluoro-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C26H26FN3O4S
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| Molecular Weight |
495.576
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| Canonical SMILES |
CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1\C(=O)Nc2cc(F)ccc12
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| InChI |
InChI=1S/C26H26FN3O4S/c1-3-29(4-2)10-5-11-30-25(32)22(13-16-6-9-20-21(12-16)34-15-33-20)35-26(30)23-18-8-7-17(27)14-19(18)28-24(23)31/h6-9,12-14H,3-5,10-11,15H2,1-2H3,(H,28,31)/b22-13-,26-23+
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| InChIKey |
DDDJPWZCSIFLHF-CIMHSGBFSA-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