General Information of the Compound
Compound ID |
CP0547254
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Compound Name |
5-bromo-2-[5-[4-[3-[5-bromo-3-(cycloheptanecarbonylamino)-4-methyl-2-oxopyridin-1-yl]propyl]triazol-1-yl]pentoxy]-N-cycloheptyl-6-methylpyridine-3-carboxamide
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Structure |
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Formula |
C38H53Br2N7O4
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Molecular Weight |
831.695
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Canonical SMILES |
Cc1nc(OCCCCCn2cc(CCCn3cc(Br)c(C)c(NC(=O)C4CCCCCC4)c3=O)nn2)c(cc1Br)C(=O)NC1CCCCCC1
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InChI |
InChI=1S/C38H53Br2N7O4/c1-26-33(40)25-46(38(50)34(26)43-35(48)28-15-8-3-4-9-16-28)20-14-19-30-24-47(45-44-30)21-12-7-13-22-51-37-31(23-32(39)27(2)41-37)36(49)42-29-17-10-5-6-11-18-29/h23-25,28-29H,3-22H2,1-2H3,(H,42,49)(H,43,48)
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InChIKey |
SKYDUKDWTNBMQD-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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PubChem ID |
Map of Molecular Bioactivity Related to the Compound
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