General Information of the Compound
| Compound ID |
CP0155511
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| Compound Name |
[(3aR,5R,6aR)-5-[(3-methoxyoxan-4-yl)amino]-2-methyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
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| Structure |
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| Formula |
C24H33F3N4O3
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| Molecular Weight |
482.547
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| Canonical SMILES |
COC1COCCC1N[C@@H]1C[C@H]2CN(C)C[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C24H33F3N4O3/c1-30-12-17-8-18(29-20-4-6-34-13-21(20)33-2)9-23(17,14-30)22(32)31-5-3-19-15(11-31)7-16(10-28-19)24(25,26)27/h7,10,17-18,20-21,29H,3-6,8-9,11-14H2,1-2H3/t17-,18+,20?,21?,23-/m0/s1
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| InChIKey |
KDPQVUPTHMDGPZ-BLWUDHNPSA-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