General Information of the Compound
| Compound ID |
CP0553237
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| Compound Name |
5-[[5-[2-(1-hydroxycyclopentyl)ethynyl]-4-[[(2S)-morpholin-2-yl]methylamino]pyridin-2-yl]amino]pyrazine-2-carbonitrile
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| Formula |
C22H25N7O2
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| Molecular Weight |
419.489
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| Canonical SMILES |
OC1(CCCC1)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1
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| InChI |
InChI=1S/C22H25N7O2/c23-10-17-12-28-21(15-25-17)29-20-9-19(26-14-18-13-24-7-8-31-18)16(11-27-20)3-6-22(30)4-1-2-5-22/h9,11-12,15,18,24,30H,1-2,4-5,7-8,13-14H2,(H2,26,27,28,29)/t18-/m0/s1
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| InChIKey |
OGFJKRMWBHUEJX-SFHVURJKSA-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