General Information of the Compound
| Compound ID |
CP0547404
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| Compound Name |
[4-(4-methoxyphenyl)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 |
C24H21N5O2
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| Molecular Weight |
411.465
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| Canonical SMILES |
COc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCn2c(C1)nnc2-c1ccccn1
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| InChI |
InChI=1S/C24H21N5O2/c1-31-20-11-9-18(10-12-20)17-5-7-19(8-6-17)24(30)28-14-15-29-22(16-28)26-27-23(29)21-4-2-3-13-25-21/h2-13H,14-16H2,1H3
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| InChIKey |
CSFFBUITUXKBLZ-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