General Information of the Compound
| Compound ID |
CP0359837
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| Compound Name |
[2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]-piperidin-1-ylmethanone
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| Structure |
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| Formula |
C27H33ClN2O5
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| Molecular Weight |
501.023
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| Canonical SMILES |
O[C@H](COc1cc(O)ccc1C(=O)N1CCCCC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
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| InChI |
InChI=1S/C27H33ClN2O5/c28-20-4-7-24-19(14-20)16-27(35-24)8-12-29(13-9-27)17-22(32)18-34-25-15-21(31)5-6-23(25)26(33)30-10-2-1-3-11-30/h4-7,14-15,22,31-32H,1-3,8-13,16-18H2/t22-/m0/s1
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| InChIKey |
DIEQQIKEZQRHHN-QFIPXVFZSA-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