General Information of the Compound
| Compound ID |
CP0491552
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| Compound Name |
(3S)-3-[4-[[(3S)-6-(morpholine-4-carbonyl)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]phenyl]hex-4-ynoic acid
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| Structure |
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| Formula |
C26H27NO7
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| Molecular Weight |
465.502
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| Canonical SMILES |
CC#C[C@@H](CC(O)=O)c1ccc(OC[C@H]2COc3ccc(cc3O2)C(=O)N2CCOCC2)cc1
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| InChI |
InChI=1S/C26H27NO7/c1-2-3-19(15-25(28)29)18-4-7-21(8-5-18)32-16-22-17-33-23-9-6-20(14-24(23)34-22)26(30)27-10-12-31-13-11-27/h4-9,14,19,22H,10-13,15-17H2,1H3,(H,28,29)/t19-,22-/m0/s1
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| InChIKey |
LLMHNFXGWNCIDN-UGKGYDQZSA-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