General Information of the Compound
| Compound ID |
CP0447429
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| Compound Name |
5-benzyl-N-[(3S)-5-cyclopropyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
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| Structure |
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| Formula |
C23H21N3O4
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| Molecular Weight |
403.438
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| Canonical SMILES |
O=C(N[C@H]1COc2ccccc2N(C2CC2)C1=O)c1cc(Cc2ccccc2)on1
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| InChI |
InChI=1S/C23H21N3O4/c27-22(18-13-17(30-25-18)12-15-6-2-1-3-7-15)24-19-14-29-21-9-5-4-8-20(21)26(23(19)28)16-10-11-16/h1-9,13,16,19H,10-12,14H2,(H,24,27)/t19-/m0/s1
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| InChIKey |
NWRTYCXBUOHPGL-IBGZPJMESA-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