General Information of the Compound
| Compound ID |
CP0915048
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| Compound Name |
endo-1-(4-(7-(Diethylamino)-2-oxo-2H-chromene-3-carboxamido)butyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-1H-indazole-3-carboxamide
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| Formula |
C35H44N6O4
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| Molecular Weight |
612.775
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| Canonical SMILES |
CCN(CC)c1ccc2cc(C(=O)NCCCCn3nc(C(=O)N[C@@H]4C[C@H]5CCC[C@@H](C4)N5C)c4ccccc43)c(=O)oc2c1
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| InChI |
InChI=1S/C35H44N6O4/c1-4-40(5-2)27-16-15-23-19-29(35(44)45-31(23)22-27)33(42)36-17-8-9-18-41-30-14-7-6-13-28(30)32(38-41)34(43)37-24-20-25-11-10-12-26(21-24)39(25)3/h6-7,13-16,19,22,24-26H,4-5,8-12,17-18,20-21H2,1-3H3,(H,36,42)(H,37,43)/t24-,25-,26+
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| InChIKey |
WEDXHKBFMNCGFH-PBROBROCSA-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