General Information of the Compound
| Compound ID |
CP0556359
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| Compound Name |
(2S)-2-[[2-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl-prop-2-ynylamino]propanamide
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| Formula |
C20H20ClFN2O2
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| Molecular Weight |
374.843
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| Canonical SMILES |
C[C@H](N(CC#C)Cc1ccc(OCc2cccc(F)c2)cc1Cl)C(N)=O
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| InChI |
InChI=1S/C20H20ClFN2O2/c1-3-9-24(14(2)20(23)25)12-16-7-8-18(11-19(16)21)26-13-15-5-4-6-17(22)10-15/h1,4-8,10-11,14H,9,12-13H2,2H3,(H2,23,25)/t14-/m0/s1
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| InChIKey |
BJMCKQFCFUILGQ-AWEZNQCLSA-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