General Information of the Compound
| Compound ID |
CP0141334
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| Compound Name |
(2,3-dichlorophenyl)-[(6S)-6-methyl-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 |
C18H15Cl2N5O
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| Molecular Weight |
388.258
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| Canonical SMILES |
C[C@H]1Cn2c(CN1C(=O)c1cccc(Cl)c1Cl)nnc2-c1ccccn1
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| InChI |
InChI=1S/C18H15Cl2N5O/c1-11-9-25-15(22-23-17(25)14-7-2-3-8-21-14)10-24(11)18(26)12-5-4-6-13(19)16(12)20/h2-8,11H,9-10H2,1H3/t11-/m0/s1
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| InChIKey |
BWTYBBRWSXSDAS-NSHDSACASA-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