General Information of the Compound
| Compound ID |
CP0477874
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| Compound Name |
5-[[5-chloro-4-[[(2R)-morpholin-2-yl]methylamino]pyridin-2-yl]amino]pyrazine-2-carbonitrile
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| Formula |
C15H16ClN7O
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| Molecular Weight |
345.794
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| Canonical SMILES |
Clc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1
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| InChI |
InChI=1S/C15H16ClN7O/c16-12-8-22-14(23-15-9-19-10(4-17)5-21-15)3-13(12)20-7-11-6-18-1-2-24-11/h3,5,8-9,11,18H,1-2,6-7H2,(H2,20,21,22,23)/t11-/m1/s1
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| InChIKey |
BSNBUKMEBPSBIJ-LLVKDONJSA-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