General Information of the Compound
| Compound ID |
CP0387871
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| Compound Name |
1-[2-[(2S)-3-(5-fluorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-4-hydroxyphenyl]-3-methylurea
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| Structure |
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| Formula |
C23H28FN3O5
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| Molecular Weight |
445.491
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| Canonical SMILES |
CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(Cc3cc(F)ccc3O2)CC1
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| InChI |
InChI=1S/C23H28FN3O5/c1-25-22(30)26-19-4-3-17(28)11-21(19)31-14-18(29)13-27-8-6-23(7-9-27)12-15-10-16(24)2-5-20(15)32-23/h2-5,10-11,18,28-29H,6-9,12-14H2,1H3,(H2,25,26,30)/t18-/m0/s1
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| InChIKey |
MIRODSZXBGGDNK-SFHVURJKSA-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