General Information of the Compound
| Compound ID |
CP0385730
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| Compound Name |
(3-chloro-4-fluorophenyl)(3-hydroxy-3-(((5-methylpyridin-2-yl)methylamino)methyl)-8-azabicyclo[3.2.1]octan-8-yl)methanone
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| Structure |
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| Formula |
C22H25ClFN3O2
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| Molecular Weight |
417.912
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| Canonical SMILES |
Cc1ccc(CNCC2(O)CC3CCC(C2)N3C(=O)c2ccc(F)c(Cl)c2)nc1
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| InChI |
InChI=1S/C22H25ClFN3O2/c1-14-2-4-16(26-11-14)12-25-13-22(29)9-17-5-6-18(10-22)27(17)21(28)15-3-7-20(24)19(23)8-15/h2-4,7-8,11,17-18,25,29H,5-6,9-10,12-13H2,1H3
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| InChIKey |
ASYCJYGZZPSMOK-UHFFFAOYSA-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