General Information of the Compound
| Compound ID |
CP0141335
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| Compound Name |
(2,3-dichlorophenyl)-[(6S)-3-(5-fluoropyrimidin-2-yl)-6-methyl-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 |
C17H13Cl2FN6O
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| Molecular Weight |
407.236
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| Canonical SMILES |
C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ncc(F)cn1
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| InChI |
InChI=1S/C17H13Cl2FN6O/c1-9-7-26-13(23-24-16(26)15-21-5-10(20)6-22-15)8-25(9)17(27)11-3-2-4-12(18)14(11)19/h2-6,9H,7-8H2,1H3/t9-/m0/s1
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| InChIKey |
YPTLIGPRZNCUDE-VIFPVBQESA-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