General Information of the Compound
| Compound ID |
CP0467079
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| Compound Name |
[2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-phenylmethanone
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| Structure |
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| Formula |
C25H36N4O2
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| Molecular Weight |
424.589
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| Canonical SMILES |
O=C(N1CCC2(C1)CCN(CC2)C(=O)c1ccccc1)N1CCCN(CC1)C1CCC1
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| InChI |
InChI=1S/C25H36N4O2/c30-23(21-6-2-1-3-7-21)27-15-10-25(11-16-27)12-17-29(20-25)24(31)28-14-5-13-26(18-19-28)22-8-4-9-22/h1-3,6-7,22H,4-5,8-20H2
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| InChIKey |
UZRVGQLPMHTKAD-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