General Information of the Compound
| Compound ID |
CP0387448
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| Compound Name |
1-[(2-tert-butyl-5-chloro-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
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| Structure |
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| Formula |
C18H19ClN2O3
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| Molecular Weight |
346.814
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| Canonical SMILES |
Cc1cc(nn1Cc1cc(Cl)cc2cc(oc12)C(C)(C)C)C(O)=O
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| InChI |
InChI=1S/C18H19ClN2O3/c1-10-5-14(17(22)23)20-21(10)9-12-7-13(19)6-11-8-15(18(2,3)4)24-16(11)12/h5-8H,9H2,1-4H3,(H,22,23)
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| InChIKey |
YGQADMCSXYDXIE-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