General Information of the Compound
| Compound ID |
CP0569014
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| Compound Name |
1-phenyl-4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-7-yl)piperazine
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| Structure |
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| Formula |
C21H26N2
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| Molecular Weight |
306.453
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| Canonical SMILES |
C1CN(CCN1C1CCc2ccccc2CC1)c1ccccc1
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| InChI |
InChI=1S/C21H26N2/c1-2-8-20(9-3-1)22-14-16-23(17-15-22)21-12-10-18-6-4-5-7-19(18)11-13-21/h1-9,21H,10-17H2
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| InChIKey |
CZIBHYWYOVBRJX-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