General Information of the Compound
| Compound ID |
CP0385295
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| Compound Name |
[(3aS,5S,6aR)-5-(oxan-4-ylamino)-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 |
C22H28F3N3O3
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| Molecular Weight |
439.478
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| Canonical SMILES |
FC(F)(F)c1cnc2CCN(Cc2c1)C(=O)[C@@]12CCO[C@@H]1C[C@H](C2)NC1CCOCC1
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| InChI |
InChI=1S/C22H28F3N3O3/c23-22(24,25)15-9-14-13-28(5-1-18(14)26-12-15)20(29)21-4-8-31-19(21)10-17(11-21)27-16-2-6-30-7-3-16/h9,12,16-17,19,27H,1-8,10-11,13H2/t17-,19-,21-/m1/s1
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| InChIKey |
CAGPJJHQNXWRMO-YFVAEKQCSA-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