General Information of the Compound
| Compound ID |
CP0491645
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| Compound Name |
[2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]-(4-hydroxypiperidin-1-yl)methanone
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| Structure |
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| Formula |
C27H33ClN2O6
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| Molecular Weight |
517.022
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| Canonical SMILES |
O[C@H](COc1cc(O)ccc1C(=O)N1CCC(O)CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
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| InChI |
InChI=1S/C27H33ClN2O6/c28-19-1-4-24-18(13-19)15-27(36-24)7-11-29(12-8-27)16-22(33)17-35-25-14-21(32)2-3-23(25)26(34)30-9-5-20(31)6-10-30/h1-4,13-14,20,22,31-33H,5-12,15-17H2/t22-/m0/s1
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| InChIKey |
XVTZPWHNTXWCMM-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
Protein ID: PT01070, C-C chemokine receptor type 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2