General Information of the Compound
| Compound ID |
CP0932661
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| Compound Name |
3-n-Pentyloxy-9-aminomethyl-9,10-dihydroanthracene fumarate
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| Structure |
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| Formula |
C24H29NO5
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| Molecular Weight |
411.498
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| Canonical SMILES |
CCCCCOc1ccc2c(c1)Cc1ccccc1C2CN.O=C(O)/C=C/C(=O)O
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| InChI |
InChI=1S/C20H25NO.C4H4O4/c1-2-3-6-11-22-17-9-10-19-16(13-17)12-15-7-4-5-8-18(15)20(19)14-21;5-3(6)1-2-4(7)8/h4-5,7-10,13,20H,2-3,6,11-12,14,21H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
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| InChIKey |
DDSNHNBLVJEQLJ-WLHGVMLRSA-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