General Information of the Compound
| Compound ID |
CP0941214
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| Compound Name |
dimethyl (2S,2'S)-1,1'-((2S,2'S)-2,2'-(5,5'-(dibenzo[a,c]phenazine-2,7-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 |
C48H52N10O6
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| Molecular Weight |
865.008
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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)cc4c4nc5ccccc5nc4c3c2)[nH]1)C(C)C
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| InChI |
InChI=1S/C48H52N10O6/c1-25(2)39(55-47(61)63-5)45(59)57-19-9-13-37(57)43-49-23-35(53-43)27-15-17-29-30-18-16-28(22-32(30)42-41(31(29)21-27)51-33-11-7-8-12-34(33)52-42)36-24-50-44(54-36)38-14-10-20-58(38)46(60)40(26(3)4)56-48(62)64-6/h7-8,11-12,15-18,21-26,37-40H,9-10,13-14,19-20H2,1-6H3,(H,49,53)(H,50,54)(H,55,61)(H,56,62)/t37-,38-,39-,40-/m0/s1
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| InChIKey |
OIZHPHLGWNRNBM-YKKXUYLKSA-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