General Information of the Compound
| Compound ID |
CP0058928
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| Compound Name |
N-[2-hydroxy-3-[4-(6-pyridin-4-yl-3-pyrrolidin-1-ylpyrazin-2-yl)piperazin-1-yl]propyl]acetamide
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| Structure |
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| Formula |
C22H31N7O2
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| Molecular Weight |
425.537
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| Canonical SMILES |
CC(=O)NCC(O)CN1CCN(CC1)c1nc(cnc1N1CCCC1)-c1ccncc1
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| InChI |
InChI=1S/C22H31N7O2/c1-17(30)24-14-19(31)16-27-10-12-29(13-11-27)22-21(28-8-2-3-9-28)25-15-20(26-22)18-4-6-23-7-5-18/h4-7,15,19,31H,2-3,8-14,16H2,1H3,(H,24,30)
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| InChIKey |
KGKKYNPHBHTGSO-UHFFFAOYSA-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