General Information of the Compound
| Compound ID |
CP0391294
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| Compound Name |
(1R,2R)-2-[4-(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]-5-fluoro-2,3-dihydro-1H-inden-1-ol
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| Structure |
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| Formula |
C21H22ClFN2O3
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| Molecular Weight |
404.869
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| Canonical SMILES |
O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCN(CC1)c1cc(Cl)cc2OCCOc12
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| InChI |
InChI=1S/C21H22ClFN2O3/c22-14-11-18(21-19(12-14)27-7-8-28-21)25-5-3-24(4-6-25)17-10-13-9-15(23)1-2-16(13)20(17)26/h1-2,9,11-12,17,20,26H,3-8,10H2/t17-,20-/m1/s1
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| InChIKey |
CRRFRYRYMNTDJL-YLJYHZDGSA-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