General Information of the Compound
| Compound ID |
CP0024756
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| Compound Name |
2-(1H-pyrazol-4-yl)-N-[4-(pyrazol-1-ylmethyl)phenyl]-1H-pyrrolo[3,2-c]pyridin-6-amine
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| Structure |
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| Formula |
C20H17N7
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| Molecular Weight |
355.405
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| Canonical SMILES |
C(c1ccc(Nc2cc3[nH]c(cc3cn2)-c2cn[nH]c2)cc1)n1cccn1
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| InChI |
InChI=1S/C20H17N7/c1-6-24-27(7-1)13-14-2-4-17(5-3-14)25-20-9-19-15(10-21-20)8-18(26-19)16-11-22-23-12-16/h1-12,26H,13H2,(H,21,25)(H,22,23)
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| InChIKey |
XSJWROYTYXTZKU-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