General Information of the Compound
| Compound ID |
CP0488116
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| Compound Name |
2-[(7-methyl-1H-indazol-5-yl)methyl]-4-[4-(2-oxo-1H-quinolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
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| Structure |
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| Formula |
C37H46N6O3
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| Molecular Weight |
622.814
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| Canonical SMILES |
Cc1cc(CC(CC(=O)N2CCC(CC2)c2cc3ccccc3[nH]c2=O)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C37H46N6O3/c1-25-19-26(21-30-24-38-40-35(25)30)20-29(37(46)43-17-11-31(12-18-43)41-13-5-2-6-14-41)23-34(44)42-15-9-27(10-16-42)32-22-28-7-3-4-8-33(28)39-36(32)45/h3-4,7-8,19,21-22,24,27,29,31H,2,5-6,9-18,20,23H2,1H3,(H,38,40)(H,39,45)
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| InChIKey |
LXIFAYJFJACLAX-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