General Information of the Compound
| Compound ID |
CP0212639
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| Compound Name |
1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-methyl-N-phenyl-2-piperidineacetamide
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| Structure |
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| Formula |
C22H26N6O
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| Molecular Weight |
390.491
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| Canonical SMILES |
CN(Cc1ccccc1)C(=O)CC1CCCCN1c1ccnc(n1)-n1ccnc1
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| InChI |
InChI=1S/C22H26N6O/c1-26(16-18-7-3-2-4-8-18)21(29)15-19-9-5-6-13-28(19)20-10-11-24-22(25-20)27-14-12-23-17-27/h2-4,7-8,10-12,14,17,19H,5-6,9,13,15-16H2,1H3
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| InChIKey |
KVYHMAVXYYJCLV-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