General Information of the Compound
| Compound ID |
CP0346051
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| Compound Name |
1-[(3aR,5R,6aR)-5-[(3-methoxyoxan-4-yl)amino]-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]ethanone
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| Structure |
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| Formula |
C25H33F3N4O4
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| Molecular Weight |
510.557
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| Canonical SMILES |
COC1COCCC1N[C@@H]1C[C@H]2CN(C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F)C(C)=O
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| InChI |
InChI=1S/C25H33F3N4O4/c1-15(33)32-12-18-8-19(30-21-4-6-36-13-22(21)35-2)9-24(18,14-32)23(34)31-5-3-20-16(11-31)7-17(10-29-20)25(26,27)28/h7,10,18-19,21-22,30H,3-6,8-9,11-14H2,1-2H3/t18-,19+,21?,22?,24-/m0/s1
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| InChIKey |
GWJQKCCJHXUFOR-BNNBCVFRSA-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