General Information of the Compound
| Compound ID |
CP0708338
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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-((2S,6R)-2,6-dimethylmorpholino)nicotinamide
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| Structure |
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| Formula |
C30H34N4O5
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| Molecular Weight |
530.625
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| Canonical SMILES |
C[C@@H]1CN(c2cnc(NCc3ccc4c(c3)OCC4)c(C(=O)NC[C@H]3COc4ccccc4O3)c2)C[C@H](C)O1
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| InChI |
InChI=1S/C30H34N4O5/c1-19-16-34(17-20(2)38-19)23-12-25(30(35)33-15-24-18-37-26-5-3-4-6-27(26)39-24)29(32-14-23)31-13-21-7-8-22-9-10-36-28(22)11-21/h3-8,11-12,14,19-20,24H,9-10,13,15-18H2,1-2H3,(H,31,32)(H,33,35)/t19-,20+,24-/m0/s1
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| InChIKey |
OEUQIBVXXPHYPJ-ROKPMTFOSA-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