General Information of the Compound
| Compound ID |
CP0458434
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| Compound Name |
1-amino-4-(3-methoxyanilino)-2-methylanthracene-9,10-dione
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| Structure |
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| Formula |
C22H18N2O3
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| Molecular Weight |
358.397
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| Canonical SMILES |
COc1cccc(Nc2cc(C)c(N)c3C(=O)c4ccccc4C(=O)c23)c1
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| InChI |
InChI=1S/C22H18N2O3/c1-12-10-17(24-13-6-5-7-14(11-13)27-2)18-19(20(12)23)22(26)16-9-4-3-8-15(16)21(18)25/h3-11,24H,23H2,1-2H3
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| InChIKey |
RWIHERISEREYPS-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