General Information of the Compound
| Compound ID |
CP0497852
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| Compound Name |
[2-[6-[[4-(hydroxymethyl)-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-2-yl]amino]hexylamino]-7-methyl-3-(pyridin-2-ylamino)furo[2,3-c]pyridin-4-yl]methanol
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| Structure |
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| Formula |
C34H38N8O4
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| Molecular Weight |
622.73
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| Canonical SMILES |
Cc1ncc(CO)c2c(Nc3ccccn3)c(NCCCCCCNc3oc4c(C)ncc(CO)c4c3Nc3ccccn3)oc12
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| InChI |
InChI=1S/C34H38N8O4/c1-21-31-27(23(19-43)17-39-21)29(41-25-11-5-9-13-35-25)33(45-31)37-15-7-3-4-8-16-38-34-30(42-26-12-6-10-14-36-26)28-24(20-44)18-40-22(2)32(28)46-34/h5-6,9-14,17-18,37-38,43-44H,3-4,7-8,15-16,19-20H2,1-2H3,(H,35,41)(H,36,42)
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| InChIKey |
PVPAWGRJDSOEDW-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