General Information of the Compound
| Compound ID |
CP0187120
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| Compound Name |
2-[4-(adamantane-1-carbonyl)-piperazin-1-yl]-3-methyl-butyronitrile
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| Structure |
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| Formula |
C20H31N3O
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| Molecular Weight |
329.488
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| Canonical SMILES |
CC(C)C(C#N)N1CCN(CC1)C(=O)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C20H31N3O/c1-14(2)18(13-21)22-3-5-23(6-4-22)19(24)20-10-15-7-16(11-20)9-17(8-15)12-20/h14-18H,3-12H2,1-2H3
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| InChIKey |
FYOYCTGBWYHHAJ-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