General Information of the Compound
| Compound ID |
CP0574737
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| Compound Name |
3-[[4-[3-methyl-1-(5-quinolin-6-ylindazol-1-yl)butyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C31H30N4O3
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| Molecular Weight |
506.606
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| Canonical SMILES |
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1ncc2cc(ccc12)-c1ccc2ncccc2c1
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| InChI |
InChI=1S/C31H30N4O3/c1-20(2)16-29(21-5-7-22(8-6-21)31(38)33-15-13-30(36)37)35-28-12-10-24(18-26(28)19-34-35)23-9-11-27-25(17-23)4-3-14-32-27/h3-12,14,17-20,29H,13,15-16H2,1-2H3,(H,33,38)(H,36,37)
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| InChIKey |
ZNERDXGUAOYOEL-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