General Information of the Compound
| Compound ID |
CP0518144
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| Compound Name |
2-[5-(3,4-dimethylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-1,3-thiazol-4-one
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| Structure |
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| Formula |
C24H21N3OS
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| Molecular Weight |
399.519
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| Canonical SMILES |
Cc1ccc(cc1C)C1=NN(C(C1)c1ccc2ccccc2c1)C1=NC(=O)CS1
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| InChI |
InChI=1S/C24H21N3OS/c1-15-7-8-19(11-16(15)2)21-13-22(27(26-21)24-25-23(28)14-29-24)20-10-9-17-5-3-4-6-18(17)12-20/h3-12,22H,13-14H2,1-2H3
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| InChIKey |
PPTDHCWAOFBNEX-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