General Information of the Compound
| Compound ID |
CP0415053
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| Compound Name |
US10272079, Compound 160
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| Structure |
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| Formula |
C58H78Cl2F2N8O12S2
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| Molecular Weight |
1252.342
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| Canonical SMILES |
Fc1cc(Cl)cc2[C@H](Oc3ccc(cc3)S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3ccc(O[C@@H]4[C@H](Cc5c4cc(Cl)cc5F)N4CCCCC4)cc3)[C@H](Cc12)N1CCCCC1
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| InChI |
InChI=1S/C58H78Cl2F2N8O12S2/c59-41-35-49-47(51(61)37-41)39-53(69-23-5-1-6-24-69)55(49)81-43-9-13-45(14-10-43)83(73,74)67-21-29-79-33-31-77-27-19-65-57(71)63-17-3-4-18-64-58(72)66-20-28-78-32-34-80-30-22-68-84(75,76)46-15-11-44(12-16-46)82-56-50-36-42(60)38-52(62)48(50)40-54(56)70-25-7-2-8-26-70/h9-16,35-38,53-56,67-68H,1-8,17-34,39-40H2,(H2,63,65,71)(H2,64,66,72)/t53-,54-,55-,56-/m0/s1
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| InChIKey |
DKZLUENNZKGISE-YKLCXBGOSA-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