General Information of the Compound
| Compound ID |
CP0487073
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| Compound Name |
(4-cyclobutyl-1,4-diazepan-1-yl)-[9-(oxan-4-yl)-2,9-diazaspiro[4.5]decan-2-yl]methanone
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| Structure |
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| Formula |
C23H40N4O2
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| Molecular Weight |
404.599
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| Canonical SMILES |
O=C(N1CCC2(C1)CCCN(C2)C1CCOCC1)N1CCCN(CC1)C1CCC1
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| InChI |
InChI=1S/C23H40N4O2/c28-22(25-12-3-11-24(14-15-25)20-4-1-5-20)27-13-9-23(19-27)8-2-10-26(18-23)21-6-16-29-17-7-21/h20-21H,1-19H2
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| InChIKey |
KXFALARAHWUZMG-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: PT00897, Potassium voltage-gated channel subfamily H member 2