General Information of the Compound
| Compound ID |
CP0451260
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| Compound Name |
N-[(5-methylsulfonylpyridin-2-yl)methyl]-4-[2-(6-propan-2-yloxy-2,3-dihydro-1,4-benzoxazin-4-yl)ethyl]benzamide
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| Formula |
C27H31N3O5S
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| Molecular Weight |
509.628
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| Canonical SMILES |
CC(C)Oc1ccc2OCCN(CCc3ccc(cc3)C(=O)NCc3ccc(cn3)S(C)(=O)=O)c2c1
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| InChI |
InChI=1S/C27H31N3O5S/c1-19(2)35-23-9-11-26-25(16-23)30(14-15-34-26)13-12-20-4-6-21(7-5-20)27(31)29-17-22-8-10-24(18-28-22)36(3,32)33/h4-11,16,18-19H,12-15,17H2,1-3H3,(H,29,31)
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| InChIKey |
TZNWKXCTLLCEBD-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