General Information of the Compound
| Compound ID |
CP0251043
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| Compound Name |
5-[[5-cyclopropyl-4-[[(2S)-morpholin-2-yl]methylamino]pyridin-2-yl]amino]pyrazine-2-carbonitrile
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| Formula |
C18H21N7O
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| Molecular Weight |
351.414
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| Canonical SMILES |
N#Cc1cnc(Nc2cc(NC[C@@H]3CNCCO3)c(cn2)C2CC2)cn1
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| InChI |
InChI=1S/C18H21N7O/c19-6-13-7-23-18(11-21-13)25-17-5-16(15(10-24-17)12-1-2-12)22-9-14-8-20-3-4-26-14/h5,7,10-12,14,20H,1-4,8-9H2,(H2,22,23,24,25)/t14-/m0/s1
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| InChIKey |
RMLMGTBZCLAAPL-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