General Information of the Compound
| Compound ID |
CP0769297
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| Compound Name |
(R)-4-methoxy-2-(3-(methylamino)-1-phenylpropoxy)benzonitrile oxalate
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| Structure |
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| Formula |
C20H22N2O6
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| Molecular Weight |
386.404
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| Canonical SMILES |
CNCC[C@@H](Oc1cc(OC)ccc1C#N)c1ccccc1.O=C(O)C(=O)O
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| InChI |
InChI=1S/C18H20N2O2.C2H2O4/c1-20-11-10-17(14-6-4-3-5-7-14)22-18-12-16(21-2)9-8-15(18)13-19;3-1(4)2(5)6/h3-9,12,17,20H,10-11H2,1-2H3;(H,3,4)(H,5,6)/t17-;/m1./s1
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| InChIKey |
FCJZJQBLFVEPPT-UNTBIKODSA-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