General Information of the Compound
| Compound ID |
CP0572925
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| Compound Name |
5-[[5-(3-fluorophenyl)-4-(piperidin-4-ylmethylamino)pyridin-2-yl]amino]pyrazine-2-carbonitrile
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| Structure |
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| Formula |
C22H22FN7
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| Molecular Weight |
403.465
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| Canonical SMILES |
Fc1cccc(c1)-c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1
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| InChI |
InChI=1S/C22H22FN7/c23-17-3-1-2-16(8-17)19-13-29-21(30-22-14-26-18(10-24)12-28-22)9-20(19)27-11-15-4-6-25-7-5-15/h1-3,8-9,12-15,25H,4-7,11H2,(H2,27,28,29,30)
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| InChIKey |
PSLAAUOSIGCHPK-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