General Information of the Compound
| Compound ID |
CP0560330
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| Compound Name |
N-(furan-2-ylmethyl)-8-[4-(pyrrolidin-1-ylmethyl)phenyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
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| Structure |
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| Formula |
C21H22N6O
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| Molecular Weight |
374.448
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| Canonical SMILES |
C(Nc1ncc(-c2ccc(CN3CCCC3)cc2)c2nncn12)c1ccco1
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| InChI |
InChI=1S/C21H22N6O/c1-2-10-26(9-1)14-16-5-7-17(8-6-16)19-13-23-21(27-15-24-25-20(19)27)22-12-18-4-3-11-28-18/h3-8,11,13,15H,1-2,9-10,12,14H2,(H,22,23)
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| InChIKey |
AIPPUXPIZXGBRC-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