General Information of the Compound
| Compound ID |
CP0499477
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| Compound Name |
N-methyl-N-[1-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]piperidin-4-yl]-2-phenylacetamide
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| Structure |
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| Formula |
C25H31N3O3
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| Molecular Weight |
421.541
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| Canonical SMILES |
CN(C1CCN(CCCN2C(=O)COc3ccccc23)CC1)C(=O)Cc1ccccc1
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| InChI |
InChI=1S/C25H31N3O3/c1-26(24(29)18-20-8-3-2-4-9-20)21-12-16-27(17-13-21)14-7-15-28-22-10-5-6-11-23(22)31-19-25(28)30/h2-6,8-11,21H,7,12-19H2,1H3
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| InChIKey |
JRLRPPKTYBXZTF-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