General Information of the Compound
| Compound ID |
CP0578497
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| Compound Name |
(2S)-2-[[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]methylamino]propanamide
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| Structure |
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| Formula |
C18H21FN2O2
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| Molecular Weight |
316.376
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| Canonical SMILES |
C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1C)C(N)=O
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| InChI |
InChI=1S/C18H21FN2O2/c1-12-8-17(23-11-14-4-3-5-16(19)9-14)7-6-15(12)10-21-13(2)18(20)22/h3-9,13,21H,10-11H2,1-2H3,(H2,20,22)/t13-/m0/s1
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| InChIKey |
MQWKHQMEIHCHGU-ZDUSSCGKSA-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