General Information of the Compound
| Compound ID |
CP0473435
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| Compound Name |
5-[4-(1-cyclopentylpiperidin-4-yl)oxyphenyl]-3-methyl-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
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| Structure |
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| Formula |
C22H29N3O2
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| Molecular Weight |
367.493
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| Canonical SMILES |
CN1N=C(C2CC2C1=O)c1ccc(OC2CCN(CC2)C2CCCC2)cc1
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| InChI |
InChI=1S/C22H29N3O2/c1-24-22(26)20-14-19(20)21(23-24)15-6-8-17(9-7-15)27-18-10-12-25(13-11-18)16-4-2-3-5-16/h6-9,16,18-20H,2-5,10-14H2,1H3
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| InChIKey |
JFRUETNFZHUWLL-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: PT01173, Histamine H3 receptor