General Information of the Compound
| Compound ID |
CP0466859
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| Compound Name |
5-(4-phenylbenzyl)oxazole-4-carboxamide, 6f
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| Structure |
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| Formula |
C28H25N3O3
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| Molecular Weight |
451.526
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)-c1ccc(Cc2ocnc2C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1
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| InChI |
InChI=1S/C28H25N3O3/c1-18(32)30-23-9-5-8-22(15-23)20-12-10-19(11-13-20)14-26-27(29-17-34-26)28(33)31-25-16-24(25)21-6-3-2-4-7-21/h2-13,15,17,24-25H,14,16H2,1H3,(H,30,32)(H,31,33)/t24-,25+/m1/s1
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| InChIKey |
IXLVUUFUDRJUSL-RPBOFIJWSA-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