General Information of the Compound
| Compound ID |
CP0160447
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| Compound Name |
4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
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| Structure |
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| Formula |
C17H16FN5
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| Molecular Weight |
309.348
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| Canonical SMILES |
Cc1nn(c(C)c1-c1ccc(F)cc1)-c1ncnc2CNCc12
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| InChI |
InChI=1S/C17H16FN5/c1-10-16(12-3-5-13(18)6-4-12)11(2)23(22-10)17-14-7-19-8-15(14)20-9-21-17/h3-6,9,19H,7-8H2,1-2H3
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| InChIKey |
VVJISDCXPCMGDZ-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