General Information of the Compound
| Compound ID |
CP0406274
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| Compound Name |
[(3aS,5S,6aR)-5-[3-hydroxypropyl-(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 |
C26H36F3N3O5
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| Molecular Weight |
527.584
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| Canonical SMILES |
COC1COCCC1N(CCCO)[C@@H]1C[C@H]2OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C26H36F3N3O5/c1-35-22-16-36-9-4-21(22)32(6-2-8-33)19-12-23-25(13-19,5-10-37-23)24(34)31-7-3-20-17(15-31)11-18(14-30-20)26(27,28)29/h11,14,19,21-23,33H,2-10,12-13,15-16H2,1H3/t19-,21?,22?,23-,25-/m1/s1
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| InChIKey |
DZNKRRCJQVRIHF-HPFZXNJXSA-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