General Information of the Compound
| Compound ID |
CP0903885
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| Compound Name |
Rac-trans-(5-((4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)pyridin-3-yl)(-3-fluoro-4-hydroxypyrrolidin-1-yl)methanone hydrochloride
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| Structure |
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| Formula |
C17H17ClF4N4O3
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| Molecular Weight |
436.793
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| Canonical SMILES |
Cl.NCc1cc(Oc2cncc(C(=O)N3C[C@H](O)[C@@H](F)C3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C17H16F4N4O3.ClH/c18-12-7-25(8-13(12)26)16(27)10-3-11(6-23-5-10)28-15-2-9(4-22)1-14(24-15)17(19,20)21;/h1-3,5-6,12-13,26H,4,7-8,22H2;1H/t12-,13-;/m0./s1
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| InChIKey |
KTYVNFZODMUDAD-QNTKWALQSA-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