General Information of the Compound
| Compound ID |
CP0663338
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| Compound Name |
N-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-2-((2,3-dihydrobenzofuran-6-yl)methylamino)-5-((1R,5S)-8-isopropyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)nicotinamide
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| Structure |
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| Formula |
C34H38N4O4
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| Molecular Weight |
566.702
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| Canonical SMILES |
CC(C)N1[C@@H]2CC[C@H]1C=C(c1cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NC[C@H]3COc4ccccc4O3)c1)C2
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| InChI |
InChI=1S/C34H38N4O4/c1-21(2)38-26-9-10-27(38)15-24(14-26)25-16-29(34(39)37-19-28-20-41-30-5-3-4-6-31(30)42-28)33(36-18-25)35-17-22-7-8-23-11-12-40-32(23)13-22/h3-8,13-14,16,18,21,26-28H,9-12,15,17,19-20H2,1-2H3,(H,35,36)(H,37,39)/t26-,27+,28-/m0/s1
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| InChIKey |
KEOZUNFWVFOURD-IARZGTGTSA-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