General Information of the Compound
| Compound ID |
CP0345601
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| Compound Name |
(2,3-dichlorophenyl)-[(6S)-3-(4-methoxypyridin-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 |
C19H17Cl2N5O2
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| Molecular Weight |
418.284
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| Canonical SMILES |
COc1ccnc(c1)-c1nnc2CN([C@@H](C)Cn12)C(=O)c1cccc(Cl)c1Cl
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| InChI |
InChI=1S/C19H17Cl2N5O2/c1-11-9-26-16(23-24-18(26)15-8-12(28-2)6-7-22-15)10-25(11)19(27)13-4-3-5-14(20)17(13)21/h3-8,11H,9-10H2,1-2H3/t11-/m0/s1
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| InChIKey |
MULCYNKNDJVWBS-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
Protein ID: PT01449, P2X purinoceptor 7
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2