General Information of the Compound
| Compound ID |
CP0422222
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| Compound Name |
1-[(4-methyl-2-spiro[5.5]undecan-3-yloxynaphthalen-1-yl)methyl]piperidine-4-carboxylic acid
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| Structure |
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| Formula |
C29H39NO3
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| Molecular Weight |
449.635
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| Canonical SMILES |
Cc1cc(OC2CCC3(CCCCC3)CC2)c(CN2CCC(CC2)C(O)=O)c2ccccc12
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| InChI |
InChI=1S/C29H39NO3/c1-21-19-27(33-23-9-15-29(16-10-23)13-5-2-6-14-29)26(25-8-4-3-7-24(21)25)20-30-17-11-22(12-18-30)28(31)32/h3-4,7-8,19,22-23H,2,5-6,9-18,20H2,1H3,(H,31,32)
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| InChIKey |
ROJRANSXNXTFFX-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: PT01837, Sphingosine 1-phosphate receptor 2
Protein ID: PT01838, Sphingosine 1-phosphate receptor 3
Protein ID: PT01779, Sphingosine 1-phosphate receptor 4
Protein ID: PT01780, Sphingosine 1-phosphate receptor 5