General Information of the Compound
| Compound ID |
CP0443436
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| Compound Name |
[(3aS,5S,6aR)-5-[(3-methoxyoxan-4-yl)amino]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
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| Structure |
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| Formula |
C23H30F3N3O4
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| Molecular Weight |
469.504
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| Canonical SMILES |
COC1COCCC1N[C@@H]1C[C@H]2OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C23H30F3N3O4/c1-31-19-13-32-6-3-18(19)28-16-9-20-22(10-16,4-7-33-20)21(30)29-5-2-17-14(12-29)8-15(11-27-17)23(24,25)26/h8,11,16,18-20,28H,2-7,9-10,12-13H2,1H3/t16-,18?,19?,20-,22-/m1/s1
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| InChIKey |
QOVXPTCADXFNFV-SQUDEMOBSA-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
Protein ID: PT01021, C-C chemokine receptor type 2
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2