General Information of the Compound
| Compound ID |
CP0433680
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| Compound Name |
1-adamantyl-[(3R)-3-methyl-4-pyrimidin-4-ylpiperazin-1-yl]methanone
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| Structure |
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| Formula |
C20H28N4O
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| Molecular Weight |
340.471
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| Canonical SMILES |
C[C@@H]1CN(CCN1c1ccncn1)C(=O)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C20H28N4O/c1-14-12-23(4-5-24(14)18-2-3-21-13-22-18)19(25)20-9-15-6-16(10-20)8-17(7-15)11-20/h2-3,13-17H,4-12H2,1H3/t14-,15?,16?,17?,20?/m1/s1
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| InChIKey |
CFLBXSNLGVYEBB-ZIUDEIKKSA-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