General Information of the Compound
| Compound ID |
CP0541097
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| Compound Name |
2-cycloheptyl-5-(4-methoxy-3-phenylmethoxyphenyl)-4,4-dimethylpyrazol-3-one
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| Structure |
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| Formula |
C26H32N2O3
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| Molecular Weight |
420.553
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| Canonical SMILES |
COc1ccc(cc1OCc1ccccc1)C1=NN(C2CCCCCC2)C(=O)C1(C)C
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| InChI |
InChI=1S/C26H32N2O3/c1-26(2)24(27-28(25(26)29)21-13-9-4-5-10-14-21)20-15-16-22(30-3)23(17-20)31-18-19-11-7-6-8-12-19/h6-8,11-12,15-17,21H,4-5,9-10,13-14,18H2,1-3H3
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| InChIKey |
HNAJABKFAWCJQR-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