General Information of the Compound
| Compound ID |
CP0549222
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| Compound Name |
3-[[4-[1-[3-(3,5-dichlorophenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)pyrazol-1-yl]ethyl]benzoyl]amino]butanoic acid
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| Structure |
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| Formula |
C30H27Cl2N3O4
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| Molecular Weight |
564.469
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| Canonical SMILES |
CC(CC(O)=O)NC(=O)c1ccc(cc1)C(C)n1nc(cc1-c1ccc2OCCc2c1)-c1cc(Cl)cc(Cl)c1
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| InChI |
InChI=1S/C30H27Cl2N3O4/c1-17(11-29(36)37)33-30(38)20-5-3-19(4-6-20)18(2)35-27(21-7-8-28-22(12-21)9-10-39-28)16-26(34-35)23-13-24(31)15-25(32)14-23/h3-8,12-18H,9-11H2,1-2H3,(H,33,38)(H,36,37)
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| InChIKey |
BRBJPXYNJFCDKY-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