General Information of the Compound
| Compound ID |
CP0552249
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| Compound Name |
2-methylpropyl 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 |
C25H28N4O6S
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| Molecular Weight |
512.588
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| Canonical SMILES |
CC(C)COC(=O)N1CCC(CC1)Oc1ncnc(Oc2ccc(\C=C3/SC(=O)NC3=O)cc2)c1C
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| InChI |
InChI=1S/C25H28N4O6S/c1-15(2)13-33-25(32)29-10-8-19(9-11-29)35-23-16(3)22(26-14-27-23)34-18-6-4-17(5-7-18)12-20-21(30)28-24(31)36-20/h4-7,12,14-15,19H,8-11,13H2,1-3H3,(H,28,30,31)/b20-12-
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| InChIKey |
BSVPIYVYWBQUME-NDENLUEZSA-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