General Information of the Compound
| Compound ID |
CP0191527
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| Compound Name |
[2,6-dimethyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-(2-fluoro-3-methoxyphenyl)methanone
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| Structure |
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| Formula |
C20H20FN5O2
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| Molecular Weight |
381.411
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| Canonical SMILES |
COc1cccc(C(=O)N2Cc3nc(C)nc(-c4ccn[nH]4)c3CC2C)c1F
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| InChI |
InChI=1S/C20H20FN5O2/c1-11-9-14-16(23-12(2)24-19(14)15-7-8-22-25-15)10-26(11)20(27)13-5-4-6-17(28-3)18(13)21/h4-8,11H,9-10H2,1-3H3,(H,22,25)
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| InChIKey |
ZTPMHAVJNPKGFZ-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
Protein ID: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7