General Information of the Compound
| Compound ID |
CP0742608
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| Compound Name |
(R)-2-(3-amino-1-(isoxazol-5-yl)propoxy)-6-(trifluoromethyl)nicotinonitrile oxalate
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| Structure |
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| Formula |
C15H13F3N4O6
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| Molecular Weight |
402.285
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| Canonical SMILES |
N#Cc1ccc(C(F)(F)F)nc1O[C@H](CCN)c1ccno1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C13H11F3N4O2.C2H2O4/c14-13(15,16)11-2-1-8(7-18)12(20-11)21-9(3-5-17)10-4-6-19-22-10;3-1(4)2(5)6/h1-2,4,6,9H,3,5,17H2;(H,3,4)(H,5,6)/t9-;/m1./s1
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| InChIKey |
UTNAGBHMGVWHTR-SBSPUUFOSA-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