General Information of the Compound
| Compound ID |
CP0577653
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| Compound Name |
3-chloro-4-[(3-pyridin-4-yl-1H-indazol-5-yl)amino]benzonitrile
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| Structure |
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| Formula |
C19H12ClN5
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| Molecular Weight |
345.793
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| Canonical SMILES |
Clc1cc(ccc1Nc1ccc2[nH]nc(-c3ccncc3)c2c1)C#N
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| InChI |
InChI=1S/C19H12ClN5/c20-16-9-12(11-21)1-3-18(16)23-14-2-4-17-15(10-14)19(25-24-17)13-5-7-22-8-6-13/h1-10,23H,(H,24,25)
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| InChIKey |
NJYZVVCACZVMRL-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