General Information of the Compound
| Compound ID |
CP0372559
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| Compound Name |
3-n-Hexyl-6-methoxy-9-aminomethyl-9,10-dihydroanthracene
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| Structure |
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| Formula |
C22H29NO
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| Molecular Weight |
323.48
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| Canonical SMILES |
CCCCCCc1ccc2C(CN)c3ccc(OC)cc3Cc2c1
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| InChI |
InChI=1S/C22H29NO/c1-3-4-5-6-7-16-8-10-20-17(12-16)13-18-14-19(24-2)9-11-21(18)22(20)15-23/h8-12,14,22H,3-7,13,15,23H2,1-2H3
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| InChIKey |
IEOVMMSCCNWORJ-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