General Information of the Compound
| Compound ID |
CP0546613
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| Compound Name |
[4-(4-chlorophenyl)phenyl]-(3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
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| Structure |
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| Formula |
C23H18ClN5O
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| Molecular Weight |
415.884
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1ccccn1
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| InChI |
InChI=1S/C23H18ClN5O/c24-19-10-8-17(9-11-19)16-4-6-18(7-5-16)23(30)28-13-14-29-21(15-28)26-27-22(29)20-3-1-2-12-25-20/h1-12H,13-15H2
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| InChIKey |
AMXMHHADTVOXCR-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