General Information of the Compound
| Compound ID |
CP0517749
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| Compound Name |
3-[[4-[3-methyl-1-[5-(4-morpholin-4-ylphenyl)indazol-1-yl]butyl]benzoyl]amino]propanoic acid
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| Structure |
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| Formula |
C32H36N4O4
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| Molecular Weight |
540.664
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| Canonical SMILES |
CC(C)CC(c1ccc(cc1)C(=O)NCCC(O)=O)n1ncc2cc(ccc12)-c1ccc(cc1)N1CCOCC1
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| InChI |
InChI=1S/C32H36N4O4/c1-22(2)19-30(24-3-5-25(6-4-24)32(39)33-14-13-31(37)38)36-29-12-9-26(20-27(29)21-34-36)23-7-10-28(11-8-23)35-15-17-40-18-16-35/h3-12,20-22,30H,13-19H2,1-2H3,(H,33,39)(H,37,38)
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| InChIKey |
JYQWSYZKBCOEGC-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