General Information of the Compound
| Compound ID |
CP0529618
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| Compound Name |
[4-fluoro-2-[(2S)-2-hydroxy-3-spiro[3H-1-benzofuran-2,4'-piperidine]-1'-ylpropoxy]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C26H31FN2O5
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| Molecular Weight |
470.541
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| Canonical SMILES |
O[C@H](COc1cc(F)ccc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3ccccc3O2)CC1
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| InChI |
InChI=1S/C26H31FN2O5/c27-19-5-6-22(25(32)29-10-7-20(30)16-29)24(13-19)33-17-21(31)15-28-11-8-26(9-12-28)14-18-3-1-2-4-23(18)34-26/h1-6,13,20-21,30-31H,7-12,14-17H2/t20-,21-/m0/s1
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| InChIKey |
WOAIGBULHVQADQ-SFTDATJTSA-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