General Information of the Compound
| Compound ID |
CP0476203
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| Compound Name |
4-(4-phenylpiperidin-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 |
C25H32N2O
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| Molecular Weight |
376.544
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| Canonical SMILES |
O=C(CCCN1CCC(CC1)c1ccccc1)c1ccc2CCNCCc2c1
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| InChI |
InChI=1S/C25H32N2O/c28-25(24-9-8-21-10-14-26-15-11-23(21)19-24)7-4-16-27-17-12-22(13-18-27)20-5-2-1-3-6-20/h1-3,5-6,8-9,19,22,26H,4,7,10-18H2
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| InChIKey |
CLWJJHWZXSDXHX-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