General Information of the Compound
| Compound ID |
CP0560782
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| Compound Name |
3-[[4-[3-methyl-1-(5-phenylindazol-1-yl)butyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C28H29N3O3
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| Molecular Weight |
455.558
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| Canonical SMILES |
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1ncc2cc(ccc12)-c1ccccc1
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| InChI |
InChI=1S/C28H29N3O3/c1-19(2)16-26(21-8-10-22(11-9-21)28(34)29-15-14-27(32)33)31-25-13-12-23(17-24(25)18-30-31)20-6-4-3-5-7-20/h3-13,17-19,26H,14-16H2,1-2H3,(H,29,34)(H,32,33)
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| InChIKey |
GZFBBBJLIGCPKN-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