General Information of the Compound
| Compound ID |
CP0959818
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| Compound Name |
N-(3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)-2-(piperidin-1-ylmethyl)biphenyl-4-carboxamide hydrochloride
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| Structure |
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| Formula |
C27H28ClN3O3
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| Molecular Weight |
477.992
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| Canonical SMILES |
Cl.O=C1COc2ccc(NC(=O)c3ccc(-c4ccccc4)c(CN4CCCCC4)c3)cc2N1
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| InChI |
InChI=1S/C27H27N3O3.ClH/c31-26-18-33-25-12-10-22(16-24(25)29-26)28-27(32)20-9-11-23(19-7-3-1-4-8-19)21(15-20)17-30-13-5-2-6-14-30;/h1,3-4,7-12,15-16H,2,5-6,13-14,17-18H2,(H,28,32)(H,29,31);1H
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| InChIKey |
GUOQTVRWYLEULV-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