General Information of the Compound
| Compound ID |
CP0240738
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| Compound Name |
5-[[5-(3-fluorophenyl)-4-[[(2R)-morpholin-2-yl]methylamino]pyridin-2-yl]amino]pyrazine-2-carbonitrile
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| Formula |
C21H20FN7O
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| Molecular Weight |
405.437
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| Canonical SMILES |
Fc1cccc(c1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1
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| InChI |
InChI=1S/C21H20FN7O/c22-15-3-1-2-14(6-15)18-12-28-20(29-21-13-25-16(8-23)9-27-21)7-19(18)26-11-17-10-24-4-5-30-17/h1-3,6-7,9,12-13,17,24H,4-5,10-11H2,(H2,26,27,28,29)/t17-/m1/s1
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| InChIKey |
ICHCXQHWTRNWIJ-QGZVFWFLSA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT00865, Serine/threonine-protein kinase Chk1