General Information of the Compound
| Compound ID |
CP0487028
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| Compound Name |
(7-benzoyl-7-azaspiro[3.5]nonan-2-yl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
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| Structure |
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| Formula |
C24H35N3O2
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| Molecular Weight |
397.563
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| Canonical SMILES |
CC(C)N1CCCN(CC1)C(=O)C1CC2(C1)CCN(CC2)C(=O)c1ccccc1
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| InChI |
InChI=1S/C24H35N3O2/c1-19(2)25-11-6-12-26(16-15-25)23(29)21-17-24(18-21)9-13-27(14-10-24)22(28)20-7-4-3-5-8-20/h3-5,7-8,19,21H,6,9-18H2,1-2H3
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| InChIKey |
PZZSPGREAYQNQO-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