General Information of the Compound
| Compound ID |
CP0499497
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| Compound Name |
[(3aS,5S,6aR)-2-ethyl-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 |
C25H34F3N3O4
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| Molecular Weight |
497.558
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| Canonical SMILES |
CCC1C[C@]2(C[C@@H](C[C@H]2O1)NC1CCOCC1OC)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C25H34F3N3O4/c1-3-18-11-24(10-17(9-22(24)35-18)30-20-5-7-34-14-21(20)33-2)23(32)31-6-4-19-15(13-31)8-16(12-29-19)25(26,27)28/h8,12,17-18,20-22,30H,3-7,9-11,13-14H2,1-2H3/t17-,18?,20?,21?,22-,24+/m1/s1
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| InChIKey |
PWUWHWVTTQBHPZ-IPROFMLTSA-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