General Information of the Compound
| Compound ID |
CP0563104
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| Compound Name |
2-[4-(5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
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| Structure |
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| Formula |
C16H20ClN5O
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| Molecular Weight |
333.823
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| Canonical SMILES |
Cc1nc(nc(N2CCN(CCO)CC2)c1Cl)-c1ccccn1
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| InChI |
InChI=1S/C16H20ClN5O/c1-12-14(17)16(22-8-6-21(7-9-22)10-11-23)20-15(19-12)13-4-2-3-5-18-13/h2-5,23H,6-11H2,1H3
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| InChIKey |
NLGYGVCRRXIJRR-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