General Information of the Compound
| Compound ID |
CP0928613
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| Compound Name |
rac-1-(1,4'-bipiperidin-1'-yl)-2-((7-methyl-1H-indazol-5-yl)methyl)-4-(4-(2-oxo-1,2-dihydroquinazolin-3(4H)-yl)piperidin-1-yl)butane-1,4-dione
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| Structure |
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| Formula |
C36H47N7O3
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| Molecular Weight |
625.818
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| Canonical SMILES |
Cc1cc(CC(CC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)C(=O)N2CCC(N3CCCCC3)CC2)cc2cn[nH]c12
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| InChI |
InChI=1S/C36H47N7O3/c1-25-19-26(21-29-23-37-39-34(25)29)20-28(35(45)42-17-9-30(10-18-42)40-13-5-2-6-14-40)22-33(44)41-15-11-31(12-16-41)43-24-27-7-3-4-8-32(27)38-36(43)46/h3-4,7-8,19,21,23,28,30-31H,2,5-6,9-18,20,22,24H2,1H3,(H,37,39)(H,38,46)
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| InChIKey |
BIXIUWBEHSVRHZ-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