General Information of the Compound
| Compound ID |
CP0466013
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| Compound Name |
3-methyl-5-[4-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
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| Structure |
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| Formula |
C20H27N3O2
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| Molecular Weight |
341.455
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| Canonical SMILES |
CC(C)N1CCC(CC1)Oc1ccc(cc1)C1=NN(C)C(=O)C2CC12
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| InChI |
InChI=1S/C20H27N3O2/c1-13(2)23-10-8-16(9-11-23)25-15-6-4-14(5-7-15)19-17-12-18(17)20(24)22(3)21-19/h4-7,13,16-18H,8-12H2,1-3H3
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| InChIKey |
PSCJRLNSWOTJIL-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