General Information of the Compound
| Compound ID |
CP0867642
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| Compound Name |
dimethyl (2S,2'S)-1,1'-((2S,2'S)-2,2'-(5,5'-(dibenzo[f,h]quinoxaline-6,11-diyl)bis(1H-imidazole-5,2-diyl))bis(pyrrolidine-2,1-diyl))bis(3-methyl-1-oxobutane-2,1-diyl)dicarbamate
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| Structure |
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| Formula |
C44H50N10O6
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| Molecular Weight |
814.948
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| Canonical SMILES |
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc3c4ccc(-c5cnc([C@@H]6CCCN6C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]5)cc4c4nccnc4c3c2)[nH]1)C(C)C
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| InChI |
InChI=1S/C44H50N10O6/c1-23(2)35(51-43(57)59-5)41(55)53-17-7-9-33(53)39-47-21-31(49-39)25-11-13-27-28-14-12-26(20-30(28)38-37(29(27)19-25)45-15-16-46-38)32-22-48-40(50-32)34-10-8-18-54(34)42(56)36(24(3)4)52-44(58)60-6/h11-16,19-24,33-36H,7-10,17-18H2,1-6H3,(H,47,49)(H,48,50)(H,51,57)(H,52,58)/t33-,34-,35-,36-/m0/s1
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| InChIKey |
OQHGZYAVOVVZHV-ZYADHFCISA-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