General Information of the Compound
| Compound ID |
CP0560133
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| Compound Name |
tert-butyl 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 |
Cc1c(OC2CCN(CC2)C(=O)OC(C)(C)C)ncnc1Oc1ccc(\C=C2/SC(=O)NC2=O)cc1
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| InChI |
InChI=1S/C25H28N4O6S/c1-15-21(33-17-7-5-16(6-8-17)13-19-20(30)28-23(31)36-19)26-14-27-22(15)34-18-9-11-29(12-10-18)24(32)35-25(2,3)4/h5-8,13-14,18H,9-12H2,1-4H3,(H,28,30,31)/b19-13-
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| InChIKey |
LSQMTUCEOWWDID-UYRXBGFRSA-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