General Information of the Compound
| Compound ID |
CP0532136
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| Compound Name |
3-[[4-[1-[5-(1-benzofuran-5-yl)-3-(3,5-dichlorophenyl)-4-methylpyrazol-1-yl]ethyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C30H25Cl2N3O4
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| Molecular Weight |
562.453
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| Canonical SMILES |
CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1nc(c(C)c1-c1ccc2occc2c1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C30H25Cl2N3O4/c1-17-28(23-14-24(31)16-25(32)15-23)34-35(29(17)22-7-8-26-21(13-22)10-12-39-26)18(2)19-3-5-20(6-4-19)30(38)33-11-9-27(36)37/h3-8,10,12-16,18H,9,11H2,1-2H3,(H,33,38)(H,36,37)
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| InChIKey |
VPKXZSHAKSBPJZ-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