General Information of the Compound
| Compound ID |
CP0573727
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| Compound Name |
(S)-2-(1-Fluoroethyl)-6-(6-methoxy-4-((6-(4-methoxytetrahydro-2H-pyran-4-yl)pyridin-2-yl)methoxy)benzofuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
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| Structure |
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| Formula |
C27H27FN4O5S
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| Molecular Weight |
538.601
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| Canonical SMILES |
COc1cc(OCc2cccc(n2)C2(CCOCC2)OC)c2cc(oc2c1)-c1cn2nc(sc2n1)[C@H](C)F
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| InChI |
InChI=1S/C27H27FN4O5S/c1-16(28)25-31-32-14-20(30-26(32)38-25)23-13-19-21(11-18(33-2)12-22(19)37-23)36-15-17-5-4-6-24(29-17)27(34-3)7-9-35-10-8-27/h4-6,11-14,16H,7-10,15H2,1-3H3/t16-/m0/s1
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| InChIKey |
ZOVYPYLKDRJEGX-INIZCTEOSA-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