General Information of the Compound
| Compound ID |
CP0162590
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| Compound Name |
6-[(3S)-1-benzylpiperidin-3-yl]oxyisoquinolin-1-amine
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| Structure |
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| Formula |
C21H23N3O
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| Molecular Weight |
333.435
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| Canonical SMILES |
Nc1nccc2cc(O[C@H]3CCCN(Cc4ccccc4)C3)ccc12
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| InChI |
InChI=1S/C21H23N3O/c22-21-20-9-8-18(13-17(20)10-11-23-21)25-19-7-4-12-24(15-19)14-16-5-2-1-3-6-16/h1-3,5-6,8-11,13,19H,4,7,12,14-15H2,(H2,22,23)/t19-/m0/s1
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| InChIKey |
IZFFAYAQVHNZHH-IBGZPJMESA-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