General Information of the Compound
| Compound ID |
CP0676975
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| Compound Name |
rac-trans-(4-((cyclohexylmethylamino)methyl)piperidin-1-yl)((1S,2S)-2-(4-fluorophenyl)cyclopropyl)methanone
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| Structure |
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| Formula |
C23H33FN2O
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| Molecular Weight |
372.528
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| Canonical SMILES |
O=C([C@H]1C[C@@H]1c1ccc(F)cc1)N1CCC(CNCC2CCCCC2)CC1
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| InChI |
InChI=1S/C23H33FN2O/c24-20-8-6-19(7-9-20)21-14-22(21)23(27)26-12-10-18(11-13-26)16-25-15-17-4-2-1-3-5-17/h6-9,17-18,21-22,25H,1-5,10-16H2/t21-,22+/m1/s1
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| InChIKey |
OYOACGPPFIIASJ-YADHBBJMSA-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