General Information of the Compound
| Compound ID |
CP0527380
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| Compound Name |
2-cycloheptyl-5-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]-4,4-dimethylpyrazol-3-one
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| Structure |
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| Formula |
C25H31N3O3
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| Molecular Weight |
421.541
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| Canonical SMILES |
COc1ccc(cc1OCc1ccccn1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
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| InChI |
InChI=1S/C25H31N3O3/c1-25(2)23(27-28(24(25)29)20-11-6-4-5-7-12-20)18-13-14-21(30-3)22(16-18)31-17-19-10-8-9-15-26-19/h8-10,13-16,20H,4-7,11-12,17H2,1-3H3
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| InChIKey |
OAUPSHKTJBGBLG-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