General Information of the Compound
| Compound ID |
CP0905683
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| Compound Name |
(R)-(5-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)pyridin-3-yl)(3-aminopyrrolidin-1-yl)methanone dihydrochloride
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| Structure |
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| Formula |
C17H20Cl2F3N5O2
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| Molecular Weight |
454.28
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| Canonical SMILES |
Cl.Cl.NCc1cc(Oc2cncc(C(=O)N3CC[C@@H](N)C3)c2)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C17H18F3N5O2.2ClH/c18-17(19,20)14-3-10(6-21)4-15(24-14)27-13-5-11(7-23-8-13)16(26)25-2-1-12(22)9-25;;/h3-5,7-8,12H,1-2,6,9,21-22H2;2*1H/t12-;;/m1../s1
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| InChIKey |
PMDQRXNOYMORIZ-CURYUGHLSA-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