General Information of the Compound
| Compound ID |
CP0352063
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| Compound Name |
9,10-Dioxo-9,10-dihydro-anthracene-2,6-dicarboxylic acid bis-{[2-((S)-2-amino-propionylamino)-ethyl]-amide}
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| Structure |
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| Formula |
C26H30N6O6
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| Molecular Weight |
522.562
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| Canonical SMILES |
C[C@H](N)C(=O)NCCNC(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)C(=O)NCCNC(=O)[C@H](C)N
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| InChI |
InChI=1S/C26H30N6O6/c1-13(27)23(35)29-7-9-31-25(37)15-3-5-17-19(11-15)21(33)18-6-4-16(12-20(18)22(17)34)26(38)32-10-8-30-24(36)14(2)28/h3-6,11-14H,7-10,27-28H2,1-2H3,(H,29,35)(H,30,36)(H,31,37)(H,32,38)/t13-,14-/m0/s1
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| InChIKey |
RGCSODPZDDDMAC-KBPBESRZSA-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