General Information of the Compound
| Compound ID |
CP0410758
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| Compound Name |
tert-butyl 4-(1'-cyclobutylspiro[3,4-dihydrochromene-2,4'-piperidine]-6-yl)oxypiperidine-1-carboxylate
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| Structure |
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| Formula |
C27H40N2O4
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| Molecular Weight |
456.627
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)Oc1ccc2OC3(CCN(CC3)C3CCC3)CCc2c1
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| InChI |
InChI=1S/C27H40N2O4/c1-26(2,3)33-25(30)29-15-10-22(11-16-29)31-23-7-8-24-20(19-23)9-12-27(32-24)13-17-28(18-14-27)21-5-4-6-21/h7-8,19,21-22H,4-6,9-18H2,1-3H3
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| InChIKey |
XWDUWCPQFIVLCE-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: PT01173, Histamine H3 receptor
Protein ID: PT01194, Histamine H3 receptor