General Information of the Compound
| Compound ID |
CP0435575
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| Compound Name |
[(3aS,5S,6aR)-5-[(3-methoxyoxan-4-yl)-methylamino]-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 |
C24H32F3N3O4
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| Molecular Weight |
483.531
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| Canonical SMILES |
COC1COCCC1N(C)[C@@H]1C[C@H]2OCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C24H32F3N3O4/c1-29(19-4-7-33-14-20(19)32-2)17-10-21-23(11-17,5-8-34-21)22(31)30-6-3-18-15(13-30)9-16(12-28-18)24(25,26)27/h9,12,17,19-21H,3-8,10-11,13-14H2,1-2H3/t17-,19?,20?,21-,23-/m1/s1
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| InChIKey |
RNJUEBJYAQKYPA-WNLQSZPLSA-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