General Information of the Compound
| Compound ID |
CP0069858
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| Compound Name |
6-(4-methylpiperazin-1-yl)-3-phenyl-2-(4-((4-(5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)piperidin-1-yl)methyl)phenyl)-1,7-naphthyridine
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| Structure |
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| Formula |
C38H39N9
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| Molecular Weight |
621.793
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| Canonical SMILES |
CN1CCN(CC1)c1cc2cc(-c3ccccc3)c(nc2cn1)-c1ccc(CN2CCC(CC2)c2nnc([nH]2)-c2ccccn2)cc1
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| InChI |
InChI=1S/C38H39N9/c1-45-19-21-47(22-20-45)35-24-31-23-32(28-7-3-2-4-8-28)36(41-34(31)25-40-35)29-12-10-27(11-13-29)26-46-17-14-30(15-18-46)37-42-38(44-43-37)33-9-5-6-16-39-33/h2-13,16,23-25,30H,14-15,17-22,26H2,1H3,(H,42,43,44)
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| InChIKey |
HGJRXEBEESPYHD-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