General Information of the Compound
| Compound ID |
CP0401482
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| Compound Name |
cycloheptyl-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
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| Structure |
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| Formula |
C22H30N2O2
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| Molecular Weight |
354.494
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| Canonical SMILES |
O=C(C1CCCCCC1)c1cn(CCN2CCOCC2)c2ccccc12
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| InChI |
InChI=1S/C22H30N2O2/c25-22(18-7-3-1-2-4-8-18)20-17-24(21-10-6-5-9-19(20)21)12-11-23-13-15-26-16-14-23/h5-6,9-10,17-18H,1-4,7-8,11-16H2
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| InChIKey |
VFBDLAVMFPXUJE-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