General Information of the Compound
| Compound ID |
CP0240736
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| Compound Name |
5-[[5-phenyl-4-(piperidin-4-ylmethylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile
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| Structure |
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| Formula |
C22H23N7
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| Molecular Weight |
385.475
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| Canonical SMILES |
N#Cc1cnc(Nc2cc(NCC3CCNCC3)c(cn2)-c2ccccc2)cn1
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| InChI |
InChI=1S/C22H23N7/c23-11-18-13-27-22(15-25-18)29-21-10-20(26-12-16-6-8-24-9-7-16)19(14-28-21)17-4-2-1-3-5-17/h1-5,10,13-16,24H,6-9,12H2,(H2,26,27,28,29)
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| InChIKey |
AVSYVWBDQYOGCV-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