General Information of the Compound
| Compound ID |
CP0518143
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| Compound Name |
2-[5-(3,4-dimethylphenyl)-3-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-4-phenyl-4,5-dihydro-1,3-thiazole
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| Structure |
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| Formula |
C30H27N3S
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| Molecular Weight |
461.634
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| Canonical SMILES |
Cc1ccc(cc1C)C1=NN(C(C1)c1ccc2ccccc2c1)C1=NC(CS1)c1ccccc1
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| InChI |
InChI=1S/C30H27N3S/c1-20-12-13-25(16-21(20)2)27-18-29(26-15-14-22-8-6-7-11-24(22)17-26)33(32-27)30-31-28(19-34-30)23-9-4-3-5-10-23/h3-17,28-29H,18-19H2,1-2H3
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| InChIKey |
OZYAMZNWANOCBT-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