General Information of the Compound
| Compound ID |
CP0542307
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| Compound Name |
2-cycloheptyl-5-[4-methoxy-3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]-4,4-dimethylpyrazol-3-one
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| Structure |
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| Formula |
C24H31N3O4
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| Molecular Weight |
425.529
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| Canonical SMILES |
COc1ccc(cc1OCc1cc(C)on1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
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| InChI |
InChI=1S/C24H31N3O4/c1-16-13-18(26-31-16)15-30-21-14-17(11-12-20(21)29-4)22-24(2,3)23(28)27(25-22)19-9-7-5-6-8-10-19/h11-14,19H,5-10,15H2,1-4H3
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| InChIKey |
VGYAGXZRPJCUGE-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