General Information of the Compound
| Compound ID |
CP0966083
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| Compound Name |
(S,S)-N,N'-(10,17-dioxo-3,6,21,24-tetraoxa-9,11,16,18-tetraazahexacosane-1,26-diyl)bis(4-((1S,2S)-4,6-dichloro-2-(dimethylamino)-2,3-dihydro-1H-inden-1-yloxy)-N-methylbenzenesulfonamide)
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| Structure |
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| Formula |
C54H74Cl4N8O12S2
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| Molecular Weight |
1233.176
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| Canonical SMILES |
CN(C)[C@H]1Cc2c(Cl)cc(Cl)cc2[C@@H]1Oc1ccc(S(=O)(=O)N(C)CCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCN(C)S(=O)(=O)c2ccc(O[C@H]3c4cc(Cl)cc(Cl)c4C[C@@H]3N(C)C)cc2)cc1
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| InChI |
InChI=1S/C54H74Cl4N8O12S2/c1-63(2)49-35-43-45(31-37(55)33-47(43)57)51(49)77-39-9-13-41(14-10-39)79(69,70)65(5)21-25-75-29-27-73-23-19-61-53(67)59-17-7-8-18-60-54(68)62-20-24-74-28-30-76-26-22-66(6)80(71,72)42-15-11-40(12-16-42)78-52-46-32-38(56)34-48(58)44(46)36-50(52)64(3)4/h9-16,31-34,49-52H,7-8,17-30,35-36H2,1-6H3,(H2,59,61,67)(H2,60,62,68)/t49-,50-,51-,52-/m0/s1
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| InChIKey |
YASXTPVZIDIWDB-CFOCFGCLSA-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