General Information of the Compound
| Compound ID |
CP0914164
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| Compound Name |
7-(benzyloxy)-3-cyclohexyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine
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| Structure |
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| Formula |
C23H29NO
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| Molecular Weight |
335.491
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| Canonical SMILES |
c1ccc(COc2ccc3c(c2)CCN(C2CCCCC2)CC3)cc1
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| InChI |
InChI=1S/C23H29NO/c1-3-7-19(8-4-1)18-25-23-12-11-20-13-15-24(16-14-21(20)17-23)22-9-5-2-6-10-22/h1,3-4,7-8,11-12,17,22H,2,5-6,9-10,13-16,18H2
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| InChIKey |
KWXWOWYXTUGOEM-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