General Information of the Compound
| Compound ID |
CP0542257
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| Compound Name |
3-[[4-[3-methyl-1-(5-naphthalen-1-ylindazol-1-yl)butyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C32H31N3O3
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| Molecular Weight |
505.618
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| Canonical SMILES |
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1ncc2cc(ccc12)-c1cccc2ccccc12
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| InChI |
InChI=1S/C32H31N3O3/c1-21(2)18-30(23-10-12-24(13-11-23)32(38)33-17-16-31(36)37)35-29-15-14-25(19-26(29)20-34-35)28-9-5-7-22-6-3-4-8-27(22)28/h3-15,19-21,30H,16-18H2,1-2H3,(H,33,38)(H,36,37)
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| InChIKey |
OCBXXCYADAUESW-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