General Information of the Compound
| Compound ID |
CP0128849
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| Compound Name |
3-n-Hexyl-9-aminomethyl-9,10-dihydroanthracene
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| Structure |
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| Formula |
C21H27N
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| Molecular Weight |
293.454
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| Canonical SMILES |
CCCCCCc1ccc2C(CN)c3ccccc3Cc2c1
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| InChI |
InChI=1S/C21H27N/c1-2-3-4-5-8-16-11-12-20-18(13-16)14-17-9-6-7-10-19(17)21(20)15-22/h6-7,9-13,21H,2-5,8,14-15,22H2,1H3
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| InChIKey |
WJPJNUGOFZCYAX-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