General Information of the Compound
| Compound ID |
CP0532916
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| Compound Name |
(2S)-2-amino-N-[[2-(3,4-difluorophenoxy)pyridin-3-yl]methyl]propanamide
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| Structure |
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| Formula |
C15H15F2N3O2
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| Molecular Weight |
307.3
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| Canonical SMILES |
C[C@H](N)C(=O)NCc1cccnc1Oc1ccc(F)c(F)c1
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| InChI |
InChI=1S/C15H15F2N3O2/c1-9(18)14(21)20-8-10-3-2-6-19-15(10)22-11-4-5-12(16)13(17)7-11/h2-7,9H,8,18H2,1H3,(H,20,21)/t9-/m0/s1
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| InChIKey |
HKRXQNWXORARPG-VIFPVBQESA-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