General Information of the Compound
| Compound ID |
CP0069634
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| Compound Name |
[(3aR,5R,6aR)-5-[(3-methoxyoxan-4-yl)amino]-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[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 |
C23H31F3N4O3
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| Molecular Weight |
468.52
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| Canonical SMILES |
COC1COCCC1N[C@@H]1C[C@H]2CNC[C@]2(C1)C(=O)N1CCc2ncc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C23H31F3N4O3/c1-32-20-12-33-5-3-19(20)29-17-7-15-9-27-13-22(15,8-17)21(31)30-4-2-18-14(11-30)6-16(10-28-18)23(24,25)26/h6,10,15,17,19-20,27,29H,2-5,7-9,11-13H2,1H3/t15-,17+,19?,20?,22-/m0/s1
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| InChIKey |
JUMFLEBVAOKXJD-KNGZZHKESA-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