General Information of the Compound
| Compound ID |
CP0422092
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| Compound Name |
(4-cyclobutyl-1,4-diazepan-1-yl)-(8-propan-2-ylsulfonyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
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| Structure |
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| Formula |
C21H38N4O3S
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| Molecular Weight |
426.627
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| Canonical SMILES |
CC(C)S(=O)(=O)N1CCC2(CCN(C2)C(=O)N2CCCN(CC2)C2CCC2)CC1
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| InChI |
InChI=1S/C21H38N4O3S/c1-18(2)29(27,28)25-13-8-21(9-14-25)7-12-24(17-21)20(26)23-11-4-10-22(15-16-23)19-5-3-6-19/h18-19H,3-17H2,1-2H3
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| InChIKey |
BNEMFTSNVXZPSV-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