General Information of the Compound
| Compound ID |
CP0468032
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| Compound Name |
3-(3-chloro-4-fluorophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrrolo[3,2-b]pyridine-5-carbonitrile
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| Structure |
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| Formula |
C21H11ClFN5
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| Molecular Weight |
387.805
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| Canonical SMILES |
Fc1ccc(cc1Cl)-c1c([nH]c2ccc(nc12)C#N)-c1cnc2[nH]ccc2c1
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| InChI |
InChI=1S/C21H11ClFN5/c22-15-8-11(1-3-16(15)23)18-19(13-7-12-5-6-25-21(12)26-10-13)28-17-4-2-14(9-24)27-20(17)18/h1-8,10,28H,(H,25,26)
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| InChIKey |
FGZGNQMSLQEFKI-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