General Information of the Compound
| Compound ID |
CP0451535
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| Compound Name |
(4-fluorophenyl)-[1-[(3S,4S)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidin-4-yl]methanone
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| Structure |
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| Formula |
C23H28FN3O2
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| Molecular Weight |
397.494
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| Canonical SMILES |
O[C@H]1CN(Cc2cccnc2)CC[C@@H]1N1CCC(CC1)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C23H28FN3O2/c24-20-5-3-18(4-6-20)23(29)19-7-12-27(13-8-19)21-9-11-26(16-22(21)28)15-17-2-1-10-25-14-17/h1-6,10,14,19,21-22,28H,7-9,11-13,15-16H2/t21-,22-/m0/s1
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| InChIKey |
QPXCZQCUAHMROY-VXKWHMMOSA-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