General Information of the Compound
| Compound ID |
CP0449769
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| Compound Name |
2-[4-(adamantane-1-carbonyl)piperazin-1-yl]-2-phenylacetonitrile
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| Structure |
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| Formula |
C23H29N3O
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| Molecular Weight |
363.505
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| Canonical SMILES |
O=C(N1CCN(CC1)C(C#N)c1ccccc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C23H29N3O/c24-16-21(20-4-2-1-3-5-20)25-6-8-26(9-7-25)22(27)23-13-17-10-18(14-23)12-19(11-17)15-23/h1-5,17-19,21H,6-15H2
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| InChIKey |
YZXZCUAMBYLKCL-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