General Information of the Compound
| Compound ID |
CP0091158
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| Compound Name |
(4-propan-2-ylphenyl) 3-[5-(4-methylphenyl)-1-quinolin-2-ylpyrazol-3-yl]propanoate
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| Structure |
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| Formula |
C31H29N3O2
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| Molecular Weight |
475.592
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| Canonical SMILES |
CC(C)c1ccc(OC(=O)CCc2cc(-c3ccc(C)cc3)n(n2)-c2ccc3ccccc3n2)cc1
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| InChI |
InChI=1S/C31H29N3O2/c1-21(2)23-12-16-27(17-13-23)36-31(35)19-15-26-20-29(25-10-8-22(3)9-11-25)34(33-26)30-18-14-24-6-4-5-7-28(24)32-30/h4-14,16-18,20-21H,15,19H2,1-3H3
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| InChIKey |
QKZXDUSJODZOOK-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