General Information of the Compound
| Compound ID |
CP0154910
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| Compound Name |
[2-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]urea
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| Structure |
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| Formula |
C22H26ClN3O4
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| Molecular Weight |
431.92
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| Canonical SMILES |
NC(=O)Nc1ccccc1OC[C@@H](O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
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| InChI |
InChI=1S/C22H26ClN3O4/c23-16-5-6-19-15(11-16)12-22(30-19)7-9-26(10-8-22)13-17(27)14-29-20-4-2-1-3-18(20)25-21(24)28/h1-6,11,17,27H,7-10,12-14H2,(H3,24,25,28)/t17-/m0/s1
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| InChIKey |
OOZRFFVYRKXFKQ-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