General Information of the Compound
| Compound ID |
CP0947280
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| Compound Name |
2,2'-(methylazanediyl)bis(N-(2-(2-(2-(2-(4-(4-(6-chloro-2-guanidinoquinazolin-4-yl)phenyl)piperazin-1-yl)ethoxy)ethoxy)ethoxy)ethyl)acetamide)
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| Structure |
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| Formula |
C59H79Cl2N17O8
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| Molecular Weight |
1225.298
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| Canonical SMILES |
CN(CC(=O)NCCOCCOCCOCCN1CCN(c2ccc(-c3nc(NC(=N)N)nc4ccc(Cl)cc34)cc2)CC1)CC(=O)NCCOCCOCCOCCN1CCN(c2ccc(-c3nc(NC(=N)N)nc4ccc(Cl)cc34)cc2)CC1
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| InChI |
InChI=1S/C59H79Cl2N17O8/c1-74(40-52(79)66-14-26-81-30-34-85-36-32-83-28-24-75-16-20-77(21-17-75)46-8-2-42(3-9-46)54-48-38-44(60)6-12-50(48)68-58(70-54)72-56(62)63)41-53(80)67-15-27-82-31-35-86-37-33-84-29-25-76-18-22-78(23-19-76)47-10-4-43(5-11-47)55-49-39-45(61)7-13-51(49)69-59(71-55)73-57(64)65/h2-13,38-39H,14-37,40-41H2,1H3,(H,66,79)(H,67,80)(H4,62,63,68,70,72)(H4,64,65,69,71,73)
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| InChIKey |
UGXNKFHITRWBQP-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
Protein ID: PT03762, Sodium/hydrogen exchanger 3
Protein ID: PT04309, Sodium/hydrogen exchanger 3