General Information of the Compound
| Compound ID |
CP0917541
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| Compound Name |
endo-7-(2-(2-(2-(7-(Diethylamino)-2-oxo-2H-chromene-3-carboxamido)ethoxy)ethoxy)ethoxy)-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide
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| Formula |
C38H50N6O7
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| Molecular Weight |
702.853
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| Canonical SMILES |
CCN(CC)c1ccc2cc(C(=O)NCCOCCOCCOc3cccc4c(C(=O)N[C@@H]5C[C@H]6CCC[C@@H](C5)N6C)nn(C)c34)c(=O)oc2c1
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| InChI |
InChI=1S/C38H50N6O7/c1-5-44(6-2)29-14-13-25-21-31(38(47)51-33(25)24-29)36(45)39-15-16-48-17-18-49-19-20-50-32-12-8-11-30-34(41-43(4)35(30)32)37(46)40-26-22-27-9-7-10-28(23-26)42(27)3/h8,11-14,21,24,26-28H,5-7,9-10,15-20,22-23H2,1-4H3,(H,39,45)(H,40,46)/t26-,27-,28+
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| InChIKey |
BWUVAZMPSVZMLB-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