General Information of the Compound
| Compound ID |
CP0397154
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| Compound Name |
N-(2-acetamidoethyl)-2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxybenzamide
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| Structure |
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| Formula |
C26H32ClN3O6
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| Molecular Weight |
518.01
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| Canonical SMILES |
CC(=O)NCCNC(=O)c1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
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| InChI |
InChI=1S/C26H32ClN3O6/c1-17(31)28-8-9-29-25(34)22-4-3-20(32)13-24(22)35-16-21(33)15-30-10-6-26(7-11-30)14-18-12-19(27)2-5-23(18)36-26/h2-5,12-13,21,32-33H,6-11,14-16H2,1H3,(H,28,31)(H,29,34)/t21-/m0/s1
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| InChIKey |
FRCSGPIZMKPBKK-NRFANRHFSA-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