General Information of the Compound
| Compound ID |
CP0413002
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| Compound Name |
[4-(hydroxymethyl)piperidin-1-yl]-(2-naphthalen-1-yltetrazol-5-yl)methanone
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| Structure |
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| Formula |
C18H19N5O2
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| Molecular Weight |
337.383
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| Canonical SMILES |
OCC1CCN(CC1)C(=O)c1nnn(n1)-c1cccc2ccccc12
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| InChI |
InChI=1S/C18H19N5O2/c24-12-13-8-10-22(11-9-13)18(25)17-19-21-23(20-17)16-7-3-5-14-4-1-2-6-15(14)16/h1-7,13,24H,8-12H2
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| InChIKey |
RODMMJICQSCKCM-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C