General Information of the Compound
| Compound ID |
CP0251044
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| Compound Name |
5-[[5-ethynyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridin-2-yl]amino]pyrazine-2-carbonitrile
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| Formula |
C17H17N7O
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| Molecular Weight |
335.371
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| Canonical SMILES |
C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1
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| InChI |
InChI=1S/C17H17N7O/c1-2-12-7-22-16(24-17-11-20-13(6-18)8-23-17)5-15(12)21-10-14-9-19-3-4-25-14/h1,5,7-8,11,14,19H,3-4,9-10H2,(H2,21,22,23,24)/t14-/m0/s1
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| InChIKey |
SPYAJJPHDPVEBQ-AWEZNQCLSA-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