General Information of the Compound
| Compound ID |
CP0214643
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| Compound Name |
2-{[(7-{[(2-ammonioethyl)amino]carbonyl}-9,10-dioxo-9,10-dihydroanthracen-2-yl)carbonyl]amino}ethanaminium
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| Structure |
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| Formula |
C20H20N4O4
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| Molecular Weight |
380.404
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| Canonical SMILES |
NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCN
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| InChI |
InChI=1S/C20H20N4O4/c21-5-7-23-19(27)11-1-3-13-15(9-11)18(26)16-10-12(20(28)24-8-6-22)2-4-14(16)17(13)25/h1-4,9-10H,5-8,21-22H2,(H,23,27)(H,24,28)
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| InChIKey |
XWKZROLIICGBRP-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