General Information of the Compound
| Compound ID |
CP0197846
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| Compound Name |
N-[9-chloro-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]-3-phenylpropanamide
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| Structure |
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| Formula |
C22H16ClN5O2
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| Molecular Weight |
417.856
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| Canonical SMILES |
Clc1ccc2nc(NC(=O)CCc3ccccc3)n3nc(nc3c2c1)-c1ccco1
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| InChI |
InChI=1S/C22H16ClN5O2/c23-15-9-10-17-16(13-15)21-26-20(18-7-4-12-30-18)27-28(21)22(24-17)25-19(29)11-8-14-5-2-1-3-6-14/h1-7,9-10,12-13H,8,11H2,(H,24,25,29)
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| InChIKey |
PMFILAFCPCLAGX-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