General Information of the Compound
| Compound ID |
CP0144619
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| Compound Name |
[(2R,3aR,6aR)-2-[[(3R,4R)-3-methoxyoxan-4-yl]amino]-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
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| Structure |
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| Formula |
C24H32F3N3O3
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| Molecular Weight |
467.532
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| Canonical SMILES |
CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C24H32F3N3O3/c1-32-21-14-33-8-5-20(21)29-18-10-16-3-2-6-23(16,11-18)22(31)30-7-4-19-15(13-30)9-17(12-28-19)24(25,26)27/h9,12,16,18,20-21,29H,2-8,10-11,13-14H2,1H3/t16-,18-,20-,21+,23-/m1/s1
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| InChIKey |
SQIBVAVXYSKQBW-CSSXWCHRSA-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