General Information of the Compound
| Compound ID |
CP0556856
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| Compound Name |
N-[(3S)-4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-3-yl]-5-pentyl-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C18H22N4O3
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| Molecular Weight |
342.399
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| Canonical SMILES |
CCCCCc1cc(n[nH]1)C(=O)N[C@H]1COc2ccccc2NC1=O
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| InChI |
InChI=1S/C18H22N4O3/c1-2-3-4-7-12-10-14(22-21-12)17(23)20-15-11-25-16-9-6-5-8-13(16)19-18(15)24/h5-6,8-10,15H,2-4,7,11H2,1H3,(H,19,24)(H,20,23)(H,21,22)/t15-/m0/s1
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| InChIKey |
KSXXLKPPWYRQCT-HNNXBMFYSA-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