General Information of the Compound
| Compound ID |
CP0541953
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| Compound Name |
(4-(1H-benzo[d]imidazol-2-yl)piperidin-1-yl)(4-ethoxy-2-phenylpyrimidin-5-yl)methanone
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| Structure |
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| Formula |
C25H25N5O2
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| Molecular Weight |
427.508
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| Canonical SMILES |
CCOc1nc(ncc1C(=O)N1CCC(CC1)c1nc2ccccc2[nH]1)-c1ccccc1
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| InChI |
InChI=1S/C25H25N5O2/c1-2-32-24-19(16-26-22(29-24)17-8-4-3-5-9-17)25(31)30-14-12-18(13-15-30)23-27-20-10-6-7-11-21(20)28-23/h3-11,16,18H,2,12-15H2,1H3,(H,27,28)
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| InChIKey |
CMZRBXUKHORLJF-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