General Information of the Compound
| Compound ID |
CP0482544
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| Compound Name |
4-[2-[(4-chloro-3-pyridin-2-yl-1H-pyrazol-5-yl)methylamino]pyridin-4-yl]-3-methylbenzonitrile
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| Structure |
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| Formula |
C22H17ClN6
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| Molecular Weight |
400.873
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| Canonical SMILES |
Cc1cc(ccc1-c1ccnc(NCc2[nH]nc(c2Cl)-c2ccccn2)c1)C#N
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| InChI |
InChI=1S/C22H17ClN6/c1-14-10-15(12-24)5-6-17(14)16-7-9-26-20(11-16)27-13-19-21(23)22(29-28-19)18-4-2-3-8-25-18/h2-11H,13H2,1H3,(H,26,27)(H,28,29)
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| InChIKey |
ZATRYYVNXSDBII-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