General Information of the Compound
| Compound ID |
CP0492704
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| Compound Name |
[(3aS,5S,6aR)-5-[(3-methoxyoxan-4-yl)amino]-2-(1,3-thiazol-2-yl)-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 |
C26H31F3N4O4S
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| Molecular Weight |
552.619
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| Canonical SMILES |
COC1COCCC1N[C@@H]1C[C@H]2OC(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)c1nccs1
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| InChI |
InChI=1S/C26H31F3N4O4S/c1-35-21-14-36-6-3-19(21)32-17-9-22-25(10-17,11-20(37-22)23-30-4-7-38-23)24(34)33-5-2-18-15(13-33)8-16(12-31-18)26(27,28)29/h4,7-8,12,17,19-22,32H,2-3,5-6,9-11,13-14H2,1H3/t17-,19?,20?,21?,22-,25+/m1/s1
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| InChIKey |
MWWLLIDZWZOJHV-YZANCIIYSA-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