General Information of the Compound
| Compound ID |
CP0968706
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| Compound Name |
(R)-4-(4-(3-hydroxy-3-methylbut-1-ynyl)benzyl)-1-((1-methyl-1H-pyrazol-4-yl)methyl)-6-(pyridin-3-ylmethoxy)-1,4-diazepan-2-one
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| Structure |
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| Formula |
C28H33N5O3
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| Molecular Weight |
487.604
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| Canonical SMILES |
Cn1cc(CN2C[C@H](OCc3cccnc3)CN(Cc3ccc(C#CC(C)(C)O)cc3)CC2=O)cn1
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| InChI |
InChI=1S/C28H33N5O3/c1-28(2,35)11-10-22-6-8-23(9-7-22)16-32-18-26(36-21-24-5-4-12-29-13-24)19-33(27(34)20-32)17-25-14-30-31(3)15-25/h4-9,12-15,26,35H,16-21H2,1-3H3/t26-/m1/s1
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| InChIKey |
FVHXJHGBDARFKM-AREMUKBSSA-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