General Information of the Compound
| Compound ID |
CP0917542
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| Compound Name |
endo-7-(2-(7-(diethylamino)-2-oxo-2H-chromene-3-carboxamido)ethoxy)-1-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide
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| Formula |
C34H42N6O5
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| Molecular Weight |
614.747
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| Canonical SMILES |
CCN(CC)c1ccc2cc(C(=O)NCCOc3cccc4c(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/C34H42N6O5/c1-5-40(6-2)25-14-13-21-17-27(34(43)45-29(21)20-25)32(41)35-15-16-44-28-12-8-11-26-30(37-39(4)31(26)28)33(42)36-22-18-23-9-7-10-24(19-22)38(23)3/h8,11-14,17,20,22-24H,5-7,9-10,15-16,18-19H2,1-4H3,(H,35,41)(H,36,42)/t22-,23-,24+
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| InChIKey |
KKQAFQIZABQOOY-JOZNFPNDSA-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