General Information of the Compound
| Compound ID |
CP0252847
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| Compound Name |
[2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]urea
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| Structure |
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| Formula |
C22H26ClN3O5
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| Molecular Weight |
447.919
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| Canonical SMILES |
NC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
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| InChI |
InChI=1S/C22H26ClN3O5/c23-15-1-4-19-14(9-15)11-22(31-19)5-7-26(8-6-22)12-17(28)13-30-20-10-16(27)2-3-18(20)25-21(24)29/h1-4,9-10,17,27-28H,5-8,11-13H2,(H3,24,25,29)/t17-/m0/s1
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| InChIKey |
XCBCSNKDPXVPNA-KRWDZBQOSA-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