General Information of the Compound
| Compound ID |
CP0742610
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| Compound Name |
(R)-2-(3-(methylamino)-1-phenylpropoxy)-4-(trifluoromethyl)benzonitrile hydrochloride
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| Structure |
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| Formula |
C18H18ClF3N2O
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| Molecular Weight |
370.802
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| Canonical SMILES |
CNCC[C@@H](Oc1cc(C(F)(F)F)ccc1C#N)c1ccccc1.Cl
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| InChI |
InChI=1S/C18H17F3N2O.ClH/c1-23-10-9-16(13-5-3-2-4-6-13)24-17-11-15(18(19,20)21)8-7-14(17)12-22;/h2-8,11,16,23H,9-10H2,1H3;1H/t16-;/m1./s1
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| InChIKey |
XKEZEUVEUQSKDY-PKLMIRHRSA-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