General Information of the Compound
| Compound ID |
CP0507490
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| Compound Name |
(2S)-1-[[4-[(3-fluorophenyl)methoxy]-2-methylphenyl]methyl]azetidine-2-carboxamide
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| Formula |
C19H21FN2O2
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| Molecular Weight |
328.387
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| Canonical SMILES |
Cc1cc(OCc2cccc(F)c2)ccc1CN1CC[C@H]1C(N)=O
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| InChI |
InChI=1S/C19H21FN2O2/c1-13-9-17(24-12-14-3-2-4-16(20)10-14)6-5-15(13)11-22-8-7-18(22)19(21)23/h2-6,9-10,18H,7-8,11-12H2,1H3,(H2,21,23)/t18-/m0/s1
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| InChIKey |
ZUHRTSPIEALDDN-SFHVURJKSA-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