General Information of the Compound
| Compound ID |
CP0529620
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| Compound Name |
2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-N-cyclopropyl-4-fluorobenzamide
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| Structure |
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| Formula |
C25H28ClFN2O4
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| Molecular Weight |
474.96
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| Canonical SMILES |
O[C@H](COc1cc(F)ccc1C(=O)NC1CC1)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
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| InChI |
InChI=1S/C25H28ClFN2O4/c26-17-1-6-22-16(11-17)13-25(33-22)7-9-29(10-8-25)14-20(30)15-32-23-12-18(27)2-5-21(23)24(31)28-19-3-4-19/h1-2,5-6,11-12,19-20,30H,3-4,7-10,13-15H2,(H,28,31)/t20-/m0/s1
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| InChIKey |
SXFCZOCWXLILSQ-FQEVSTJZSA-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