General Information of the Compound
| Compound ID |
CP0550117
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| Compound Name |
4-[[(3-pyridin-4-yl-1H-indazol-5-yl)amino]methyl]benzonitrile
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| Structure |
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| Formula |
C20H15N5
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| Molecular Weight |
325.375
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| Canonical SMILES |
N#Cc1ccc(CNc2ccc3[nH]nc(-c4ccncc4)c3c2)cc1
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| InChI |
InChI=1S/C20H15N5/c21-12-14-1-3-15(4-2-14)13-23-17-5-6-19-18(11-17)20(25-24-19)16-7-9-22-10-8-16/h1-11,23H,13H2,(H,24,25)
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| InChIKey |
XSNIDKZITNHENF-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