General Information of the Compound
| Compound ID |
CP0420390
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| Compound Name |
3-[(S)-1-(3-Dimethylamino-propyl)-piperidin-3-yl]-benzonitrile
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| Structure |
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| Formula |
C17H25N3
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| Molecular Weight |
271.408
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| Canonical SMILES |
CN(C)CCCN1CCC[C@H](C1)c1cccc(c1)C#N
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| InChI |
InChI=1S/C17H25N3/c1-19(2)9-5-11-20-10-4-8-17(14-20)16-7-3-6-15(12-16)13-18/h3,6-7,12,17H,4-5,8-11,14H2,1-2H3/t17-/m1/s1
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| InChIKey |
AKBLTSXPRUVMOS-QGZVFWFLSA-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