General Information of the Compound
| Compound ID |
CP0404357
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| Compound Name |
US10272079, Compound 105
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| Structure |
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| Formula |
C69H85Cl5N8O14S2
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| Molecular Weight |
1491.88
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| Canonical SMILES |
CN1C[C@@H](c2cccc(c2)S(=O)(=O)NCCOCCOCCNC(=O)CN(CCOCCOCCOCCNC(=O)c2ccc(cc2)-c2ccc(Cl)cc2)CC(=O)NCCOCCOCCNS(=O)(=O)c2cccc(c2)[C@@H]2CN(C)Cc3c(Cl)cc(Cl)cc23)c2cc(Cl)cc(Cl)c2C1
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| InChI |
InChI=1S/C69H85Cl5N8O14S2/c1-80-43-61(59-39-55(71)41-65(73)63(59)45-80)52-5-3-7-57(37-52)97(86,87)78-20-26-93-31-29-90-23-17-75-67(83)47-82(22-28-95-34-36-96-35-33-92-25-19-77-69(85)51-11-9-49(10-12-51)50-13-15-54(70)16-14-50)48-68(84)76-18-24-91-30-32-94-27-21-79-98(88,89)58-8-4-6-53(38-58)62-44-81(2)46-64-60(62)40-56(72)42-66(64)74/h3-16,37-42,61-62,78-79H,17-36,43-48H2,1-2H3,(H,75,83)(H,76,84)(H,77,85)/t61-,62-/m0/s1
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| InChIKey |
XBIHZJGZNRFKED-TVHLTLAGSA-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