General Information of the Compound
| Compound ID |
CP0277627
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| Compound Name |
1-[3-(1-Naphthylsulfonyl)-1H-indazol-5-yl]azetidin-3-amine
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| Structure |
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| Formula |
C20H18N4O2S
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| Molecular Weight |
378.457
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| Canonical SMILES |
NC1CN(C1)c1ccc2[nH]nc(c2c1)S(=O)(=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C20H18N4O2S/c21-14-11-24(12-14)15-8-9-18-17(10-15)20(23-22-18)27(25,26)19-7-3-5-13-4-1-2-6-16(13)19/h1-10,14H,11-12,21H2,(H,22,23)
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| InChIKey |
PEENLCMAOCPFKF-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT01354, 5-hydroxytryptamine receptor 6