General Information of the Compound
| Compound ID |
CP0552927
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| Compound Name |
(2S)-2-[[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]methyl-prop-2-ynylamino]propanamide
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| Formula |
C21H23FN2O2
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| Molecular Weight |
354.425
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| Canonical SMILES |
C[C@H](N(CC#C)Cc1ccc(OCc2cccc(F)c2)cc1C)C(N)=O
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| InChI |
InChI=1S/C21H23FN2O2/c1-4-10-24(16(3)21(23)25)13-18-8-9-20(11-15(18)2)26-14-17-6-5-7-19(22)12-17/h1,5-9,11-12,16H,10,13-14H2,2-3H3,(H2,23,25)/t16-/m0/s1
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| InChIKey |
GKRGBDAPZWGMGV-INIZCTEOSA-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