General Information of the Compound
| Compound ID |
CP0492299
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| Compound Name |
tert-butyl 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 |
C24H26N4O6S
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| Molecular Weight |
498.561
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)Oc1cc(Oc2cccc(\C=C3/SC(=O)NC3=O)c2)ncn1
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| InChI |
InChI=1S/C24H26N4O6S/c1-24(2,3)34-23(31)28-9-7-16(8-10-28)32-19-13-20(26-14-25-19)33-17-6-4-5-15(11-17)12-18-21(29)27-22(30)35-18/h4-6,11-14,16H,7-10H2,1-3H3,(H,27,29,30)/b18-12-
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| InChIKey |
KVDJGLFYDFZJII-PDGQHHTCSA-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