General Information of the Compound
| Compound ID |
CP0487370
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| Compound Name |
2-[[(2R)-1-[4-[(2,5-dichlorophenyl)methoxy]phenyl]propan-2-yl]-methylamino]acetic acid
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| Structure |
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| Formula |
C19H21Cl2NO3
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| Molecular Weight |
382.287
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| Canonical SMILES |
C[C@H](Cc1ccc(OCc2cc(Cl)ccc2Cl)cc1)N(C)CC(O)=O
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| InChI |
InChI=1S/C19H21Cl2NO3/c1-13(22(2)11-19(23)24)9-14-3-6-17(7-4-14)25-12-15-10-16(20)5-8-18(15)21/h3-8,10,13H,9,11-12H2,1-2H3,(H,23,24)/t13-/m1/s1
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| InChIKey |
NNFJJFKWEGESIF-CYBMUJFWSA-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