General Information of the Compound
| Compound ID |
CP0530452
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| Compound Name |
1-[(5-tert-butyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-4-prop-2-enylpiperazine
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| Formula |
C20H30N2O
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| Molecular Weight |
314.473
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| Canonical SMILES |
CC(C)(C)c1ccc2OC(CN3CCN(CC=C)CC3)Cc2c1
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| InChI |
InChI=1S/C20H30N2O/c1-5-8-21-9-11-22(12-10-21)15-18-14-16-13-17(20(2,3)4)6-7-19(16)23-18/h5-7,13,18H,1,8-12,14-15H2,2-4H3
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| InChIKey |
NSDNBVJPZFOCFP-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: PT01194, Histamine H3 receptor
Protein ID: PT01711, Histamine H4 receptor