General Information of the Compound
| Compound ID |
CP0341729
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| Compound Name |
(S)-2,6-Diamino-hexanoic acid ({6-[2-((S)-2,6-diamino-hexanoylamino)-acetylamino]-9,10-dioxo-9,10-dihydro-anthracen-2-ylcarbamoyl}-methyl)-amide
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| Structure |
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| Formula |
C30H40N8O6
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| Molecular Weight |
608.7
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| Canonical SMILES |
NCCCC[C@H](N)C(=O)NCC(=O)Nc1ccc2C(=O)c3cc(NC(=O)CNC(=O)[C@@H](N)CCCCN)ccc3C(=O)c2c1
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| InChI |
InChI=1S/C30H40N8O6/c31-11-3-1-5-23(33)29(43)35-15-25(39)37-17-7-9-19-21(13-17)27(41)20-10-8-18(14-22(20)28(19)42)38-26(40)16-36-30(44)24(34)6-2-4-12-32/h7-10,13-14,23-24H,1-6,11-12,15-16,31-34H2,(H,35,43)(H,36,44)(H,37,39)(H,38,40)/t23-,24-/m0/s1
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| InChIKey |
GYPAMPKNFPDEAE-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