General Information of the Compound
| Compound ID |
CP0566747
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| Compound Name |
2-[(7-methyl-1H-indazol-5-yl)methyl]-4-[4-(2-oxo-5-phenyl-1H-imidazol-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 |
C37H47N7O3
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| Molecular Weight |
637.829
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| Canonical SMILES |
Cc1cc(CC(CC(=O)N2CCC(CC2)n2cc([nH]c2=O)-c2ccccc2)C(=O)N2CCC(CC2)N2CCCCC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C37H47N7O3/c1-26-20-27(22-30-24-38-40-35(26)30)21-29(36(46)43-18-10-31(11-19-43)41-14-6-3-7-15-41)23-34(45)42-16-12-32(13-17-42)44-25-33(39-37(44)47)28-8-4-2-5-9-28/h2,4-5,8-9,20,22,24-25,29,31-32H,3,6-7,10-19,21,23H2,1H3,(H,38,40)(H,39,47)
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| InChIKey |
ZSBCPISKGMREAX-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