General Information of the Compound
| Compound ID |
CP0217073
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| Compound Name |
7-Amino-heptanoic acid (9-chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)-amide
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| Structure |
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| Formula |
C20H21ClN6O2
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| Molecular Weight |
412.881
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| Canonical SMILES |
NCCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C20H21ClN6O2/c21-13-8-9-15-14(12-13)19-25-18(16-6-5-11-29-16)26-27(19)20(23-15)24-17(28)7-3-1-2-4-10-22/h5-6,8-9,11-12H,1-4,7,10,22H2,(H,23,24,28)
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| InChIKey |
IVPJFFDELHCLRM-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