General Information of the Compound
| Compound ID |
CP0559504
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| Compound Name |
4-[3-(5-Amino-2-furan-2-yl-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-7-yl)-propyl]-benzene-1,2-diol
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| Structure |
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| Formula |
C19H17N7O3
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| Molecular Weight |
391.391
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| Canonical SMILES |
Nc1nc2n(CCCc3ccc(O)c(O)c3)ncc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C19H17N7O3/c20-19-23-17-12(18-22-16(24-26(18)19)15-4-2-8-29-15)10-21-25(17)7-1-3-11-5-6-13(27)14(28)9-11/h2,4-6,8-10,27-28H,1,3,7H2,(H2,20,23)
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| InChIKey |
LCNBVQXGZHCINL-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