General Information of the Compound
| Compound ID |
CP0556670
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| Compound Name |
2-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
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| Structure |
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| Formula |
C23H19N3O2S
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| Molecular Weight |
401.491
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| Canonical SMILES |
COc1ccc(cc1)C1=NN(C(C1)c1cccc2ccccc12)C1=NC(=O)CS1
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| InChI |
InChI=1S/C23H19N3O2S/c1-28-17-11-9-16(10-12-17)20-13-21(26(25-20)23-24-22(27)14-29-23)19-8-4-6-15-5-2-3-7-18(15)19/h2-12,21H,13-14H2,1H3
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| InChIKey |
SOLRGZXQVOFWJI-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