General Information of the Compound
| Compound ID |
CP0297484
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| Compound Name |
6-(3-(4-(3,4-dichlorophenoxy)piperidin-1-yl)propylamino)-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
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| Structure |
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| Formula |
C20H26Cl2N4O3
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| Molecular Weight |
441.359
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| Canonical SMILES |
Cn1c(NCCCN2CCC(CC2)Oc2ccc(Cl)c(Cl)c2)cc(=O)n(C)c1=O
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| InChI |
InChI=1S/C20H26Cl2N4O3/c1-24-18(13-19(27)25(2)20(24)28)23-8-3-9-26-10-6-14(7-11-26)29-15-4-5-16(21)17(22)12-15/h4-5,12-14,23H,3,6-11H2,1-2H3
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| InChIKey |
MMXKXXGRZUAQGP-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