General Information of the Compound
| Compound ID |
CP0859978
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| Compound Name |
2-[4-(6-Chloro-2-oxo-4H-benzo[d][1,3]oxazin-1-yl)-piperidin-1-yl]-N-(4-cyano-phenyl)-acetamide hydrochloride
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| Structure |
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| Formula |
C22H22Cl2N4O3
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| Molecular Weight |
461.349
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| Canonical SMILES |
Cl.N#Cc1ccc(NC(=O)CN2CCC(N3C(=O)OCc4cc(Cl)ccc43)CC2)cc1
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| InChI |
InChI=1S/C22H21ClN4O3.ClH/c23-17-3-6-20-16(11-17)14-30-22(29)27(20)19-7-9-26(10-8-19)13-21(28)25-18-4-1-15(12-24)2-5-18;/h1-6,11,19H,7-10,13-14H2,(H,25,28);1H
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| InChIKey |
JMHAATPSWOCHNA-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