General Information of the Compound
| Compound ID |
CP0493089
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| Compound Name |
benzyl 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 |
C27H24N4O6S
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| Molecular Weight |
532.578
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| Canonical SMILES |
O=C(OCc1ccccc1)N1CCC(CC1)Oc1cc(Oc2cccc(\C=C3/SC(=O)NC3=O)c2)ncn1
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| InChI |
InChI=1S/C27H24N4O6S/c32-25-22(38-26(33)30-25)14-19-7-4-8-21(13-19)37-24-15-23(28-17-29-24)36-20-9-11-31(12-10-20)27(34)35-16-18-5-2-1-3-6-18/h1-8,13-15,17,20H,9-12,16H2,(H,30,32,33)/b22-14-
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| InChIKey |
BCGLDHYFBLGDSL-HMAPJEAMSA-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