General Information of the Compound
| Compound ID |
CP0173093
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| Compound Name |
9,10-Dioxo-9,10-dihydro-anthracene-2,6-dicarboxylic acid bis-{[2-((S)-2,6-diamino-hexanoylamino)-ethyl]-amide}
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| Structure |
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| Formula |
C32H44N8O6
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| Molecular Weight |
636.754
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| Canonical SMILES |
NCCCC[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)CCCCN
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| InChI |
InChI=1S/C32H44N8O6/c33-11-3-1-5-25(35)31(45)39-15-13-37-29(43)19-7-9-21-23(17-19)27(41)22-10-8-20(18-24(22)28(21)42)30(44)38-14-16-40-32(46)26(36)6-2-4-12-34/h7-10,17-18,25-26H,1-6,11-16,33-36H2,(H,37,43)(H,38,44)(H,39,45)(H,40,46)/t25-,26-/m0/s1
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| InChIKey |
WDBIIHTWBGAPNE-UIOOFZCWSA-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