General Information of the Compound
| Compound ID |
CP0562170
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| Compound Name |
(2S)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]piperazine
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| Structure |
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| Formula |
C19H31N3O
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| Molecular Weight |
317.477
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| Canonical SMILES |
C(COc1ccc(C[C@H]2CNCCN2)cc1)CN1CCCCC1
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| InChI |
InChI=1S/C19H31N3O/c1-2-11-22(12-3-1)13-4-14-23-19-7-5-17(6-8-19)15-18-16-20-9-10-21-18/h5-8,18,20-21H,1-4,9-16H2/t18-/m0/s1
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| InChIKey |
FCDBXATVSNHARP-SFHVURJKSA-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