General Information of the Compound
| Compound ID |
CP0138243
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| Compound Name |
3-cyclopentyl-7-phenylmethoxy-1,2,4,5-tetrahydro-3-benzazepine
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| Structure |
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| Formula |
C22H27NO
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| Molecular Weight |
321.464
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| Canonical SMILES |
C(Oc1ccc2CCN(CCc2c1)C1CCCC1)c1ccccc1
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| InChI |
InChI=1S/C22H27NO/c1-2-6-18(7-3-1)17-24-22-11-10-19-12-14-23(15-13-20(19)16-22)21-8-4-5-9-21/h1-3,6-7,10-11,16,21H,4-5,8-9,12-15,17H2
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| InChIKey |
IWPSIGJPCATAFI-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