General Information of the Compound
| Compound ID |
CP0540207
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| Compound Name |
(2E,5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-[3-(diethylamino)propyl]-2-(5-methyl-2-oxo-1H-indol-3-ylidene)-1,3-thiazolidin-4-one
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| Structure |
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| Formula |
C27H29N3O4S
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| Molecular Weight |
491.613
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| Canonical SMILES |
CCN(CC)CCCn1c(=O)\c(=C\c2ccc3OCOc3c2)s\c1=C1\C(=O)Nc2ccc(C)cc12
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| InChI |
InChI=1S/C27H29N3O4S/c1-4-29(5-2)11-6-12-30-26(32)23(15-18-8-10-21-22(14-18)34-16-33-21)35-27(30)24-19-13-17(3)7-9-20(19)28-25(24)31/h7-10,13-15H,4-6,11-12,16H2,1-3H3,(H,28,31)/b23-15-,27-24+
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| InChIKey |
VRJNUEUNSQYBJB-XLSAHCNTSA-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