General Information of the Compound
| Compound ID |
CP0011697
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| Compound Name |
3-methoxy-N-(3-phenylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-amine
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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 |
COc1ccc2CCC(CCc2c1)NCCCc1ccccc1
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| InChI |
InChI=1S/C21H27NO/c1-23-21-14-11-18-9-12-20(13-10-19(18)16-21)22-15-5-8-17-6-3-2-4-7-17/h2-4,6-7,11,14,16,20,22H,5,8-10,12-13,15H2,1H3
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| InChIKey |
DCBAUCRPRDYNOG-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