General Information of the Compound
| Compound ID |
CP0214645
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| Compound Name |
(S)-2-Amino-5-guanidino-pentanoic acid (2-{7-[3-((S)-2-amino-5-guanidino-pentanoylamino)-propionylamino]-9,10-dioxo-9,10-dihydro-anthracen-2-ylcarbamoyl}-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)NCCC(=O)Nc1ccc2C(=O)c3ccc(NC(=O)CCNC(=O)[C@@H](N)CCCN=C(N)N)cc3C(=O)c2c1
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| InChI |
InChI=1S/C32H44N12O6/c33-23(3-1-11-41-31(35)36)29(49)39-13-9-25(45)43-17-5-7-19-21(15-17)28(48)22-16-18(6-8-20(22)27(19)47)44-26(46)10-14-40-30(50)24(34)4-2-12-42-32(37)38/h5-8,15-16,23-24H,1-4,9-14,33-34H2,(H,39,49)(H,40,50)(H,43,45)(H,44,46)(H4,35,36,41)(H4,37,38,42)/t23-,24-/m0/s1
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| InChIKey |
JPLUTSOEDBHITH-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