General Information of the Compound
| Compound ID |
CP0875089
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| Compound Name |
endo-1-(2-(2-(2-(7-(Diethylamino)-2-oxo-2H-chromene-3-carboxamido)ethoxy)ethoxy)ethyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide
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| Formula |
C37H48N6O6
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| Molecular Weight |
672.827
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| Canonical SMILES |
CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCn3nc(C(=O)N[C@@H]4C[C@H]5CCC[C@@H](C4)N5C)c4ccccc43)c(=O)oc2c1
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| InChI |
InChI=1S/C37H48N6O6/c1-4-42(5-2)29-14-13-25-21-31(37(46)49-33(25)24-29)35(44)38-15-17-47-19-20-48-18-16-43-32-12-7-6-11-30(32)34(40-43)36(45)39-26-22-27-9-8-10-28(23-26)41(27)3/h6-7,11-14,21,24,26-28H,4-5,8-10,15-20,22-23H2,1-3H3,(H,38,44)(H,39,45)/t26-,27-,28+
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| InChIKey |
QSIGSEDSPXQCKE-CXAYTTCISA-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