General Information of the Compound
| Compound ID |
CP0552845
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| Compound Name |
ethyl 4-[6-[3-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]pyrimidin-4-yl]oxypiperidine-1-carboxylate
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| Structure |
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| Formula |
C22H22N4O6S
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| Molecular Weight |
470.507
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| Canonical SMILES |
CCOC(=O)N1CCC(CC1)Oc1cc(Oc2cccc(\C=C3/SC(=O)NC3=O)c2)ncn1
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| InChI |
InChI=1S/C22H22N4O6S/c1-2-30-22(29)26-8-6-15(7-9-26)31-18-12-19(24-13-23-18)32-16-5-3-4-14(10-16)11-17-20(27)25-21(28)33-17/h3-5,10-13,15H,2,6-9H2,1H3,(H,25,27,28)/b17-11-
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| InChIKey |
ZYRRRKVQXWVKTQ-BOPFTXTBSA-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