General Information of the Compound
| Compound ID |
CP0177268
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| Compound Name |
methyl 4-[5-amino-3-(furan-2-yl)pyrazol-1-yl]benzoate
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| Formula |
C15H13N3O3
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| Molecular Weight |
283.287
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| Canonical SMILES |
COC(=O)c1ccc(cc1)-n1nc(cc1N)-c1ccco1
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| InChI |
InChI=1S/C15H13N3O3/c1-20-15(19)10-4-6-11(7-5-10)18-14(16)9-12(17-18)13-3-2-8-21-13/h2-9H,16H2,1H3
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| InChIKey |
CKYRQRCQUDZFGL-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