General Information of the Compound
| Compound ID |
CP0552294
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| Compound Name |
[7-(3-phenylpropylamino)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]methanol
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| Structure |
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| Formula |
C21H27NO
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| Molecular Weight |
309.453
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| Canonical SMILES |
OCc1ccc2CCC(CCc2c1)NCCCc1ccccc1
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| InChI |
InChI=1S/C21H27NO/c23-16-18-8-9-19-10-12-21(13-11-20(19)15-18)22-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-9,15,21-23H,4,7,10-14,16H2
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| InChIKey |
CIDKPZKESLVWGD-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