General Information of the Compound
| Compound ID |
CP0558424
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| Compound Name |
N-[(5-ethylsulfonylpyridin-2-yl)methyl]-4-[2-(6-propan-2-yloxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]benzamide
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| Formula |
C28H33N3O5S
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| Molecular Weight |
523.655
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(CNC(=O)c2ccc(CCN3CCOc4ccc(OC(C)C)cc34)cc2)nc1
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| InChI |
InChI=1S/C28H33N3O5S/c1-4-37(33,34)25-11-9-23(29-19-25)18-30-28(32)22-7-5-21(6-8-22)13-14-31-15-16-35-27-12-10-24(17-26(27)31)36-20(2)3/h5-12,17,19-20H,4,13-16,18H2,1-3H3,(H,30,32)
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| InChIKey |
PGCXGBWVFHQCIO-UHFFFAOYSA-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