General Information of the Compound
| Compound ID |
CP0552628
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| Compound Name |
[4-[3-(4-methoxyphenyl)-5-(2-methylphenyl)-3,4-dihydropyrazol-2-yl]phenyl]-morpholin-4-ylmethanone
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| Formula |
C28H29N3O3
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| Molecular Weight |
455.558
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| Canonical SMILES |
COc1ccc(cc1)C1CC(=NN1c1ccc(cc1)C(=O)N1CCOCC1)c1ccccc1C
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| InChI |
InChI=1S/C28H29N3O3/c1-20-5-3-4-6-25(20)26-19-27(21-9-13-24(33-2)14-10-21)31(29-26)23-11-7-22(8-12-23)28(32)30-15-17-34-18-16-30/h3-14,27H,15-19H2,1-2H3
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| InChIKey |
MMAHNUGCELPIJH-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