General Information of the Compound
| Compound ID |
CP0444873
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| Compound Name |
N-(1-cyclohexylpiperidin-4-yl)-6-(2,4-difluorophenyl)pyrimidine-4-carboxamide
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| Formula |
C22H26F2N4O
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| Molecular Weight |
400.473
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| Canonical SMILES |
Fc1ccc(c(F)c1)-c1cc(ncn1)C(=O)NC1CCN(CC1)C1CCCCC1
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| InChI |
InChI=1S/C22H26F2N4O/c23-15-6-7-18(19(24)12-15)20-13-21(26-14-25-20)22(29)27-16-8-10-28(11-9-16)17-4-2-1-3-5-17/h6-7,12-14,16-17H,1-5,8-11H2,(H,27,29)
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| InChIKey |
BDOMQJIBYHPTGG-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