General Information of the Compound
| Compound ID |
CP0214642
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| Compound Name |
9,10-Dioxo-9,10-dihydro-anthracene-2,7-dicarboxylic acid bis-{[2-((S)-2-amino-3-phenyl-propionylamino)-ethyl]-amide}
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| Structure |
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| Formula |
C38H38N6O6
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| Molecular Weight |
674.758
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| Canonical SMILES |
N[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)Cc1ccccc1
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| InChI |
InChI=1S/C38H38N6O6/c39-31(19-23-7-3-1-4-8-23)37(49)43-17-15-41-35(47)25-11-13-27-29(21-25)34(46)30-22-26(12-14-28(30)33(27)45)36(48)42-16-18-44-38(50)32(40)20-24-9-5-2-6-10-24/h1-14,21-22,31-32H,15-20,39-40H2,(H,41,47)(H,42,48)(H,43,49)(H,44,50)/t31-,32-/m0/s1
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| InChIKey |
RZXMTGNUPIZJCL-ACHIHNKUSA-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