General Information of the Compound
| Compound ID |
CP0381254
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| Compound Name |
N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]cyclobutanecarboxamide
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| Structure |
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| Formula |
C21H29N3O3
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| Molecular Weight |
371.481
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| Canonical SMILES |
O=C(NC1CCN(CCCN2C(=O)COc3ccccc23)CC1)C1CCC1
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| InChI |
InChI=1S/C21H29N3O3/c25-20-15-27-19-8-2-1-7-18(19)24(20)12-4-11-23-13-9-17(10-14-23)22-21(26)16-5-3-6-16/h1-2,7-8,16-17H,3-6,9-15H2,(H,22,26)
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| InChIKey |
JMDZEJLSQGLSQJ-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