General Information of the Compound
| Compound ID |
CP0093210
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| Compound Name |
1'-cyclobutyl-6-(1-cyclopropylsulfonylpiperidin-4-yl)oxyspiro[3,4-dihydrochromene-2,4'-piperidine]
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| Structure |
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| Formula |
C25H36N2O4S
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| Molecular Weight |
460.64
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| Canonical SMILES |
O=S(=O)(C1CC1)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
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| InChI |
InChI=1S/C25H36N2O4S/c28-32(29,23-5-6-23)27-14-9-21(10-15-27)30-22-4-7-24-19(18-22)8-11-25(31-24)12-16-26(17-13-25)20-2-1-3-20/h4,7,18,20-21,23H,1-3,5-6,8-17H2
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| InChIKey |
MMTAJJBCVXEVAY-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