General Information of the Compound
| Compound ID |
CP0055894
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| Compound Name |
(1R,6S)-5-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-3,4-diazabicyclo[4.1.0]hept-4-en-2-one
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| Structure |
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| Formula |
C20H25N3O2
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| Molecular Weight |
339.439
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| Canonical SMILES |
O=C1NN=C([C@H]2C[C@@H]12)c1ccc(OC2CCN(CC2)C2CCC2)cc1
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| InChI |
InChI=1S/C20H25N3O2/c24-20-18-12-17(18)19(21-22-20)13-4-6-15(7-5-13)25-16-8-10-23(11-9-16)14-2-1-3-14/h4-7,14,16-18H,1-3,8-12H2,(H,22,24)/t17-,18+/m0/s1
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| InChIKey |
GWVIOFUJTJGECV-ZWKOTPCHSA-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