General Information of the Compound
| Compound ID |
CP0399411
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| Compound Name |
4-[4-(4-chlorophenyl)piperidin-1-yl]-1-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)butan-1-one
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| Structure |
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| Formula |
C25H31ClN2O
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| Molecular Weight |
410.989
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| Canonical SMILES |
Clc1ccc(cc1)C1CCN(CCCC(=O)c2ccc3CCNCCc3c2)CC1
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| InChI |
InChI=1S/C25H31ClN2O/c26-24-7-5-19(6-8-24)21-11-16-28(17-12-21)15-1-2-25(29)23-4-3-20-9-13-27-14-10-22(20)18-23/h3-8,18,21,27H,1-2,9-17H2
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| InChIKey |
NJBQIOKBFXTYIA-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