General Information of the Compound
| Compound ID |
CP0535564
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| Compound Name |
3-[[1-[3-(3,5-dichlorophenyl)-5-(6-methoxynaphthalen-2-yl)pyrazol-1-yl]-2,3-dihydro-1H-indene-5-carbonyl]amino]propanoic acid
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| Structure |
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| Formula |
C33H27Cl2N3O4
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| Molecular Weight |
600.502
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| Canonical SMILES |
COc1ccc2cc(ccc2c1)-c1cc(nn1C1CCc2cc(ccc12)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C33H27Cl2N3O4/c1-42-27-7-4-19-12-22(3-2-20(19)16-27)31-18-29(24-14-25(34)17-26(35)15-24)37-38(31)30-9-6-21-13-23(5-8-28(21)30)33(41)36-11-10-32(39)40/h2-5,7-8,12-18,30H,6,9-11H2,1H3,(H,36,41)(H,39,40)
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| InChIKey |
KGMQZDDEZWQXHM-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