General Information of the Compound
| Compound ID |
CP0173095
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| Compound Name |
(S)-2-Amino-N-(2-{7-[3-((S)-2-amino-3-phenyl-propionylamino)-propionylamino]-9,10-dioxo-9,10-dihydro-anthracen-2-ylcarbamoyl}-ethyl)-3-phenyl-propionamide
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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)NCCC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CCNC(=O)[C@@H](N)Cc4ccccc4)cc3C(=O)c2c1
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| InChI |
InChI=1S/C38H38N6O6/c39-31(19-23-7-3-1-4-8-23)37(49)41-17-15-33(45)43-25-11-13-27-29(21-25)36(48)30-22-26(12-14-28(30)35(27)47)44-34(46)16-18-42-38(50)32(40)20-24-9-5-2-6-10-24/h1-14,21-22,31-32H,15-20,39-40H2,(H,41,49)(H,42,50)(H,43,45)(H,44,46)/t31-,32-/m0/s1
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| InChIKey |
PLOZSLKKRWCTBF-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