General Information of the Compound
| Compound ID |
CP0234908
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| Compound Name |
9,10-Dioxo-9,10-dihydro-anthracene-2,7-dicarboxylic acid bis-{[2-((2S,3S)-2-amino-3-methyl-pentanoylamino)-ethyl]-amide}
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| Structure |
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| Formula |
C32H42N6O6
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| Molecular Weight |
606.724
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| Canonical SMILES |
CC[C@H](C)[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3ccc(cc3C(=O)c2c1)C(=O)NCCNC(=O)[C@@H](N)[C@@H](C)CC
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| InChI |
InChI=1S/C32H42N6O6/c1-5-17(3)25(33)31(43)37-13-11-35-29(41)19-7-9-21-23(15-19)28(40)24-16-20(8-10-22(24)27(21)39)30(42)36-12-14-38-32(44)26(34)18(4)6-2/h7-10,15-18,25-26H,5-6,11-14,33-34H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)(H,38,44)/t17-,18-,25-,26-/m0/s1
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| InChIKey |
BKXTZIPOBQHMPO-JZWJADFXSA-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