General Information of the Compound
| Compound ID |
CP0374112
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| Compound Name |
(R)-2-(2-chlorophenethyl)-3-methyl-6-(2-methylpiperazin-1-yl)pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C18H23ClN4O
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| Molecular Weight |
346.862
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| Canonical SMILES |
C[C@@H]1CNCCN1c1cc(=O)n(C)c(CCc2ccccc2Cl)n1
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| InChI |
InChI=1S/C18H23ClN4O/c1-13-12-20-9-10-23(13)17-11-18(24)22(2)16(21-17)8-7-14-5-3-4-6-15(14)19/h3-6,11,13,20H,7-10,12H2,1-2H3/t13-/m1/s1
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| InChIKey |
HRHQMKIXYWKXST-CYBMUJFWSA-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