General Information of the Compound
| Compound ID |
CP0967206
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| Compound Name |
N1,N31-bis(2-(2-(2-(2-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylsulfonamido)ethoxy)ethoxy)ethoxy)ethyl)-4,7,10,13,16,19,22,25,28-nonaoxa-hentriacontane-1,31-diamide
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| Structure |
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| Formula |
C70H104Cl4N6O21S2
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| Molecular Weight |
1571.569
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| Canonical SMILES |
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(S(=O)(=O)NCCOCCOCCOCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCOCCOCCOCCNS(=O)(=O)c3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1
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| InChI |
InChI=1S/C70H104Cl4N6O21S2/c1-79-51-63(61-47-57(71)49-67(73)65(61)53-79)55-5-3-7-59(45-55)102(83,84)77-13-19-91-25-31-95-29-23-89-17-11-75-69(81)9-15-87-21-27-93-33-35-97-37-39-99-41-43-101-44-42-100-40-38-98-36-34-94-28-22-88-16-10-70(82)76-12-18-90-24-30-96-32-26-92-20-14-78-103(85,86)60-8-4-6-56(46-60)64-52-80(2)54-66-62(64)48-58(72)50-68(66)74/h3-8,45-50,63-64,77-78H,9-44,51-54H2,1-2H3,(H,75,81)(H,76,82)
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| InChIKey |
FSHQMVCNSDRQKS-UHFFFAOYSA-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