General Information of the Compound
| Compound ID |
CP0067911
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| Compound Name |
3-({7-[(3-ammoniopropanoyl)amino]-9,10-dioxo-9,10-dihydroanthracen-2-yl}amino)-3-oxopropan-1-aminium
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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 |
NCCC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CCN)cc3C(=O)c2c1
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| InChI |
InChI=1S/C20H20N4O4/c21-7-5-17(25)23-11-1-3-13-15(9-11)20(28)16-10-12(24-18(26)6-8-22)2-4-14(16)19(13)27/h1-4,9-10H,5-8,21-22H2,(H,23,25)(H,24,26)
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| InChIKey |
URCXCDVPOJNFRK-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