General Information of the Compound
| Compound ID |
CP0861726
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| Compound Name |
1-(3-(2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yloxy)propyl)piperidin-4-ol
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| Structure |
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| Formula |
C18H28N2O2
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| Molecular Weight |
304.434
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| Canonical SMILES |
OC1CCN(CCCOc2ccc3c(c2)CCNCC3)CC1
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| InChI |
InChI=1S/C18H28N2O2/c21-17-6-11-20(12-7-17)10-1-13-22-18-3-2-15-4-8-19-9-5-16(15)14-18/h2-3,14,17,19,21H,1,4-13H2
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| InChIKey |
SOURGACQIXFLGX-UHFFFAOYSA-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