General Information of the Compound
| Compound ID |
CP0874549
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| Compound Name |
Rac-trans-(3-((4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)phenyl)(-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl)methanone hydrochloride
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| Structure |
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| Formula |
C20H24ClF3N4O3
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| Molecular Weight |
460.884
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| Canonical SMILES |
CN(C)[C@@H]1CN(C(=O)c2cccc(Oc3cc(CN)cc(C(F)(F)F)n3)c2)C[C@H]1O.Cl
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| InChI |
InChI=1S/C20H23F3N4O3.ClH/c1-26(2)15-10-27(11-16(15)28)19(29)13-4-3-5-14(8-13)30-18-7-12(9-24)6-17(25-18)20(21,22)23;/h3-8,15-16,28H,9-11,24H2,1-2H3;1H/t15-,16-;/m1./s1
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| InChIKey |
RSXISZIJWUDZBC-QNBGGDODSA-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