General Information of the Compound
| Compound ID |
CP0214644
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| Compound Name |
9,10-Dioxo-9,10-dihydro-anthracene-2,6-dicarboxylic acid bis-{[2-((S)-2-amino-5-guanidino-pentanoylamino)-ethyl]-amide}
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| Structure |
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| Formula |
C32H44N12O6
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| Molecular Weight |
692.782
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| Canonical SMILES |
N[C@@H](CCCN=C(N)N)C(=O)NCCNC(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)CCCN=C(N)N
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| InChI |
InChI=1S/C32H44N12O6/c33-23(3-1-9-43-31(35)36)29(49)41-13-11-39-27(47)17-5-7-19-21(15-17)25(45)20-8-6-18(16-22(20)26(19)46)28(48)40-12-14-42-30(50)24(34)4-2-10-44-32(37)38/h5-8,15-16,23-24H,1-4,9-14,33-34H2,(H,39,47)(H,40,48)(H,41,49)(H,42,50)(H4,35,36,43)(H4,37,38,44)/t23-,24-/m0/s1
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| InChIKey |
QVYRCXMPGSOIMQ-ZEQRLZLVSA-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