General Information of the Compound
| Compound ID |
CP0020306
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| Compound Name |
N-[2-chloro-4-(1-methylpyrazol-4-yl)phenyl]-2-(1-methylpyrazol-4-yl)-1H-pyrrolo[3,2-c]pyridin-6-amine
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| Structure |
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| Formula |
C21H18ClN7
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| Molecular Weight |
403.877
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| Canonical SMILES |
Cn1cc(cn1)-c1cc2cnc(Nc3ccc(cc3Cl)-c3cnn(C)c3)cc2[nH]1
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| InChI |
InChI=1S/C21H18ClN7/c1-28-11-15(9-24-28)13-3-4-18(17(22)5-13)27-21-7-20-14(8-23-21)6-19(26-20)16-10-25-29(2)12-16/h3-12,26H,1-2H3,(H,23,27)
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| InChIKey |
KOHXXTKMZDFLND-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