General Information of the Compound
| Compound ID |
CP0921330
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| Compound Name |
endo-7-(3-(7-(Diethylamino)-2-oxo-2H-chromene-3-carboxamido)propoxy)-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide
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| Formula |
C35H44N6O5
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| Molecular Weight |
628.774
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| Canonical SMILES |
CCN(CC)c1ccc2cc(C(=O)NCCCOc3cccc4c(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/C35H44N6O5/c1-5-41(6-2)26-15-14-22-18-28(35(44)46-30(22)21-26)33(42)36-16-9-17-45-29-13-8-12-27-31(38-40(4)32(27)29)34(43)37-23-19-24-10-7-11-25(20-23)39(24)3/h8,12-15,18,21,23-25H,5-7,9-11,16-17,19-20H2,1-4H3,(H,36,42)(H,37,43)/t23-,24+,25-
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| InChIKey |
STOPSEQYAMSLCO-QEIWAGNOSA-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