General Information of the Compound
| Compound ID |
CP0470726
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| Compound Name |
4-[4-(3-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-6-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C18H18FN5
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| Molecular Weight |
323.375
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| Canonical SMILES |
CN1Cc2ncnc(c2C1)-n1nc(C)c(c1C)-c1cccc(F)c1
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| InChI |
InChI=1S/C18H18FN5/c1-11-17(13-5-4-6-14(19)7-13)12(2)24(22-11)18-15-8-23(3)9-16(15)20-10-21-18/h4-7,10H,8-9H2,1-3H3
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| InChIKey |
NMHMYKHZCAMASD-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: PT06880, Acid-sensing ion channel 1
Protein ID: PT06843, Acid-sensing ion channel 2