General Information of the Compound
| Compound ID |
CP0967203
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| Compound Name |
N1,N4-bis(1-(3-(6,8-dichloro-2-methyl-1,2,3,4-tetrahydroisoquinolin-4-yl)phenylamino)-1-oxo-5,8,11-trioxa-2-azatridecan-13-yl)-2,3-dihydroxysuccinamide
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| Structure |
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| Formula |
C54H70Cl4N8O12
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| Molecular Weight |
1165.01
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| Canonical SMILES |
CN1Cc2c(Cl)cc(Cl)cc2C(c2cccc(NC(=O)NCCOCCOCCOCCNC(=O)C(O)C(O)C(=O)NCCOCCOCCOCCNC(=O)Nc3cccc(C4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1
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| InChI |
InChI=1S/C54H70Cl4N8O12/c1-65-31-43(41-27-37(55)29-47(57)45(41)33-65)35-5-3-7-39(25-35)63-53(71)61-11-15-75-19-23-77-21-17-73-13-9-59-51(69)49(67)50(68)52(70)60-10-14-74-18-22-78-24-20-76-16-12-62-54(72)64-40-8-4-6-36(26-40)44-32-66(2)34-46-42(44)28-38(56)30-48(46)58/h3-8,25-30,43-44,49-50,67-68H,9-24,31-34H2,1-2H3,(H,59,69)(H,60,70)(H2,61,63,71)(H2,62,64,72)
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| InChIKey |
PZUYZJUAEHLJQQ-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