General Information of the Compound
| Compound ID |
CP0532135
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| Compound Name |
3-[[4-[1-[3-(3,5-dichlorophenyl)-5-(6-ethoxynaphthalen-2-yl)-4-methylpyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C34H31Cl2N3O4
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| Molecular Weight |
616.545
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| Canonical SMILES |
CCOc1ccc2cc(ccc2c1)-c1c(C)c(nn1C(C)c1ccc(cc1)C(=O)NCCC(O)=O)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C34H31Cl2N3O4/c1-4-43-30-12-11-24-15-26(10-9-25(24)18-30)33-20(2)32(27-16-28(35)19-29(36)17-27)38-39(33)21(3)22-5-7-23(8-6-22)34(42)37-14-13-31(40)41/h5-12,15-19,21H,4,13-14H2,1-3H3,(H,37,42)(H,40,41)
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| InChIKey |
ADEKZSCSCOJGQT-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