General Information of the Compound
| Compound ID |
CP0084237
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| Compound Name |
6-Amino-hexanoic 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 |
C19H19ClN6O2
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| Molecular Weight |
398.854
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| Canonical SMILES |
NCCCCCC(=O)Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1
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| InChI |
InChI=1S/C19H19ClN6O2/c20-12-7-8-14-13(11-12)18-24-17(15-5-4-10-28-15)25-26(18)19(22-14)23-16(27)6-2-1-3-9-21/h4-5,7-8,10-11H,1-3,6,9,21H2,(H,22,23,27)
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| InChIKey |
UBKZMUWEMTYMDH-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