General Information of the Compound
| Compound ID |
CP0480617
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| Compound Name |
(1R,2R)-2-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]-5-fluoro-2,3-dihydro-1H-inden-1-ol
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| Structure |
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| Formula |
C22H25FN2O2
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| Molecular Weight |
368.452
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| Canonical SMILES |
O[C@H]1[C@@H](Cc2cc(F)ccc12)N1CCN(CC1)c1cccc2CCCOc12
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| InChI |
InChI=1S/C22H25FN2O2/c23-17-6-7-18-16(13-17)14-20(21(18)26)25-10-8-24(9-11-25)19-5-1-3-15-4-2-12-27-22(15)19/h1,3,5-7,13,20-21,26H,2,4,8-12,14H2/t20-,21-/m1/s1
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| InChIKey |
XPECPZHOOOLPDY-NHCUHLMSSA-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