General Information of the Compound
| Compound ID |
CP0491643
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| Compound Name |
[4-fluoro-2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C26H30F2N2O5
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| Molecular Weight |
488.531
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| Canonical SMILES |
O[C@H](COc1cc(F)ccc1C(=O)N1CC[C@H](O)C1)CN1CCC2(Cc3cc(F)ccc3O2)CC1
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| InChI |
InChI=1S/C26H30F2N2O5/c27-18-2-4-23-17(11-18)13-26(35-23)6-9-29(10-7-26)14-21(32)16-34-24-12-19(28)1-3-22(24)25(33)30-8-5-20(31)15-30/h1-4,11-12,20-21,31-32H,5-10,13-16H2/t20-,21-/m0/s1
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| InChIKey |
PGOITOHUWVNKGJ-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