General Information of the Compound
| Compound ID |
CP0413009
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| Compound Name |
[4-(hydroxymethyl)piperidin-1-yl]-(3-methyl-1-naphthalen-1-ylpyrazol-4-yl)methanone
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| Structure |
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| Formula |
C21H23N3O2
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| Molecular Weight |
349.434
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| Canonical SMILES |
Cc1nn(cc1C(=O)N1CCC(CO)CC1)-c1cccc2ccccc12
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| InChI |
InChI=1S/C21H23N3O2/c1-15-19(21(26)23-11-9-16(14-25)10-12-23)13-24(22-15)20-8-4-6-17-5-2-3-7-18(17)20/h2-8,13,16,25H,9-12,14H2,1H3
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| InChIKey |
RLPIOUQPDRLZLX-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