General Information of the Compound
| Compound ID |
CP0049399
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| Compound Name |
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N'-(4-chloro-3-fluorophenyl)oxamide
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| Structure |
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| Formula |
C18H23ClFN3O2
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| Molecular Weight |
367.852
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| Canonical SMILES |
Fc1cc(NC(=O)C(=O)NC[C@@H]2CCCN3CCCC[C@H]23)ccc1Cl
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| InChI |
InChI=1S/C18H23ClFN3O2/c19-14-7-6-13(10-15(14)20)22-18(25)17(24)21-11-12-4-3-9-23-8-2-1-5-16(12)23/h6-7,10,12,16H,1-5,8-9,11H2,(H,21,24)(H,22,25)/t12-,16+/m0/s1
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| InChIKey |
YHZSTPLUXFUXIB-BLLLJJGKSA-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