General Information of the Compound
| Compound ID |
CP0214649
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| Compound Name |
2-Amino-N-({6-[2-(2-amino-acetylamino)-acetylamino]-9,10-dioxo-9,10-dihydro-anthracen-2-ylcarbamoyl}-methyl)-acetamide
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| Structure |
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| Formula |
C22H22N6O6
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| Molecular Weight |
466.454
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| Canonical SMILES |
NCC(=O)NCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNC(=O)CN)ccc3C(=O)c2c1
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| InChI |
InChI=1S/C22H22N6O6/c23-7-17(29)25-9-19(31)27-11-1-3-13-15(5-11)22(34)14-4-2-12(6-16(14)21(13)33)28-20(32)10-26-18(30)8-24/h1-6H,7-10,23-24H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)
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| InChIKey |
OBNXAASLBRHPRU-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