General Information of the Compound
| Compound ID |
CP0490510
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| Compound Name |
1-(6-nitro-1,3-benzoxazol-2-yl)-6-phenylhexan-1-one
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| Structure |
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| Formula |
C19H18N2O4
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| Molecular Weight |
338.363
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| Canonical SMILES |
[O-][N+](=O)c1ccc2nc(oc2c1)C(=O)CCCCCc1ccccc1
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| InChI |
InChI=1S/C19H18N2O4/c22-17(10-6-2-5-9-14-7-3-1-4-8-14)19-20-16-12-11-15(21(23)24)13-18(16)25-19/h1,3-4,7-8,11-13H,2,5-6,9-10H2
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| InChIKey |
MBCPYEGBZWHGIC-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