General Information of the Compound
| Compound ID |
CP0560503
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| Compound Name |
(2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide
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| Structure |
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| Formula |
C17H18ClFN2O2
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| Molecular Weight |
336.794
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| Canonical SMILES |
C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1Cl)C(N)=O
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| InChI |
InChI=1S/C17H18ClFN2O2/c1-11(17(20)22)21-9-13-5-6-15(8-16(13)18)23-10-12-3-2-4-14(19)7-12/h2-8,11,21H,9-10H2,1H3,(H2,20,22)/t11-/m0/s1
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| InChIKey |
YWKZEJQFHWOTCQ-NSHDSACASA-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B