General Information of the Compound
| Compound ID |
CP0513266
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| Compound Name |
[(3aS,5S,6aR)-5-[(3-methoxyoxan-4-yl)amino]-2,3,4,5,6,6a-hexahydrocyclopenta[b]furan-3a-yl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone
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| Structure |
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| Formula |
C24H31F3N2O4
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| Molecular Weight |
468.516
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| Canonical SMILES |
COC1COCCC1N[C@@H]1C[C@H]2OCC[C@]2(C1)C(=O)N1CCc2ccc(cc2C1)C(F)(F)F
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| InChI |
InChI=1S/C24H31F3N2O4/c1-31-20-14-32-8-5-19(20)28-18-11-21-23(12-18,6-9-33-21)22(30)29-7-4-15-2-3-17(24(25,26)27)10-16(15)13-29/h2-3,10,18-21,28H,4-9,11-14H2,1H3/t18-,19?,20?,21-,23-/m1/s1
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| InChIKey |
MLOPFENXOCOACM-JIUKSFBLSA-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