General Information of the Compound
| Compound ID |
CP0425648
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| Compound Name |
methyl 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 |
C22H22N4O6S
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| Molecular Weight |
470.507
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| Canonical SMILES |
COC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(\C=C3/SC(=O)NC3=O)cc2)c1C
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| InChI |
InChI=1S/C22H22N4O6S/c1-13-19(23-12-24-20(13)32-16-7-9-26(10-8-16)22(29)30-2)31-15-5-3-14(4-6-15)11-17-18(27)25-21(28)33-17/h3-6,11-12,16H,7-10H2,1-2H3,(H,25,27,28)/b17-11-
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| InChIKey |
KBMSHZZUPJYRQD-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