General Information of the Compound
| Compound ID |
CP0663159
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| Compound Name |
5-((1R,5S)-8-acetyl-8-azabicyclo[3.2.1]oct-3-en-3-yl)-N-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-2-((2,3-dihydrobenzofuran-6-yl)methylamino)nicotinamide
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| Structure |
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| Formula |
C33H34N4O5
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| Molecular Weight |
566.658
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| Canonical SMILES |
CC(=O)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/C33H34N4O5/c1-20(38)37-25-8-9-26(37)14-23(13-25)24-15-28(33(39)36-18-27-19-41-29-4-2-3-5-30(29)42-27)32(35-17-24)34-16-21-6-7-22-10-11-40-31(22)12-21/h2-7,12-13,15,17,25-27H,8-11,14,16,18-19H2,1H3,(H,34,35)(H,36,39)/t25-,26+,27-/m0/s1
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| InChIKey |
UZJCBPUZLIMFRR-VJGNERBWSA-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