General Information of the Compound
| Compound ID |
CP0549421
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| Compound Name |
benzyl 4-[6-[4-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
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| Structure |
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| Formula |
C28H26N4O6S
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| Molecular Weight |
546.605
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| Canonical SMILES |
Cc1c(OC2CCN(CC2)C(=O)OCc2ccccc2)ncnc1Oc1ccc(\C=C2/SC(=O)NC2=O)cc1
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| InChI |
InChI=1S/C28H26N4O6S/c1-18-25(37-21-9-7-19(8-10-21)15-23-24(33)31-27(34)39-23)29-17-30-26(18)38-22-11-13-32(14-12-22)28(35)36-16-20-5-3-2-4-6-20/h2-10,15,17,22H,11-14,16H2,1H3,(H,31,33,34)/b23-15-
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| InChIKey |
YCNMLKZXXUGWHI-HAHDFKILSA-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