General Information of the Compound
| Compound ID |
CP0489971
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| Compound Name |
1-[[5-(2-methoxyphenyl)-1-naphthalen-1-ylpyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
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| Structure |
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| Formula |
C28H27N3O4
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| Molecular Weight |
469.541
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| Canonical SMILES |
COc1ccccc1-c1cc(nn1-c1cccc2ccccc12)C(=O)NC1(CCCCC1)C(O)=O
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| InChI |
InChI=1S/C28H27N3O4/c1-35-25-15-6-5-13-21(25)24-18-22(26(32)29-28(27(33)34)16-7-2-8-17-28)30-31(24)23-14-9-11-19-10-3-4-12-20(19)23/h3-6,9-15,18H,2,7-8,16-17H2,1H3,(H,29,32)(H,33,34)
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| InChIKey |
UKFLNHDJXNJYAM-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