General Information of the Compound
| Compound ID |
CP0517808
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| Compound Name |
4-benzyl-N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]pyridine-2-carboxamide
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| Structure |
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| Formula |
C23H21N3O3
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| Molecular Weight |
387.439
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| Canonical SMILES |
CN1c2ccccc2OC[C@H](NC(=O)c2cc(Cc3ccccc3)ccn2)C1=O
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| InChI |
InChI=1S/C23H21N3O3/c1-26-20-9-5-6-10-21(20)29-15-19(23(26)28)25-22(27)18-14-17(11-12-24-18)13-16-7-3-2-4-8-16/h2-12,14,19H,13,15H2,1H3,(H,25,27)/t19-/m0/s1
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| InChIKey |
BYZLFSSTPKOLGN-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