General Information of the Compound
| Compound ID |
CP0149386
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| Compound Name |
3-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
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| Structure |
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| Formula |
C21H16F2N6
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| Molecular Weight |
390.397
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| Canonical SMILES |
Cn1cc(cn1)-c1cnc2[nH]cc(-c3cnn(Cc4ccc(F)c(F)c4)c3)c2c1
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| InChI |
InChI=1S/C21H16F2N6/c1-28-11-15(7-26-28)14-5-17-18(9-25-21(17)24-6-14)16-8-27-29(12-16)10-13-2-3-19(22)20(23)4-13/h2-9,11-12H,10H2,1H3,(H,24,25)
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| InChIKey |
FPQUAATUWBOAGG-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