General Information of the Compound
| Compound ID |
CP0862081
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| Compound Name |
3-(6-(3-phenylpropoxy)-2H-spiro[benzofuran-3,4'-piperidine]-1'-yl)propanoic acid hydrochloride
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| Structure |
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| Formula |
C24H30ClNO4
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| Molecular Weight |
431.96
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| Canonical SMILES |
Cl.O=C(O)CCN1CCC2(CC1)COc1cc(OCCCc3ccccc3)ccc12
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| InChI |
InChI=1S/C24H29NO4.ClH/c26-23(27)10-13-25-14-11-24(12-15-25)18-29-22-17-20(8-9-21(22)24)28-16-4-7-19-5-2-1-3-6-19;/h1-3,5-6,8-9,17H,4,7,10-16,18H2,(H,26,27);1H
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| InChIKey |
CXLWOFZMLJKQAA-UHFFFAOYSA-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: PT01688, Sphingosine 1-phosphate receptor 1
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5