General Information of the Compound
| Compound ID |
CP0215280
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| Compound Name |
1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-piperidineacetamide
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| Structure |
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| Formula |
C24H30N6O3
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| Molecular Weight |
450.543
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| Canonical SMILES |
COc1ccc(CCNC(=O)CC2CCCCN2c2ccnc(n2)-n2ccnc2)cc1OC
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| InChI |
InChI=1S/C24H30N6O3/c1-32-20-7-6-18(15-21(20)33-2)8-10-26-23(31)16-19-5-3-4-13-30(19)22-9-11-27-24(28-22)29-14-12-25-17-29/h6-7,9,11-12,14-15,17,19H,3-5,8,10,13,16H2,1-2H3,(H,26,31)
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| InChIKey |
PQRVHILYLCVPLT-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