General Information of the Compound
| Compound ID |
CP0353975
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| Compound Name |
3-methyl-2-[4-(3-p-tolyl-adamantane-1-carbonyl)-piperazin-1-yl]-butyronitrile
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| Structure |
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| Formula |
C27H37N3O
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| Molecular Weight |
419.613
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| Canonical SMILES |
CC(C)C(C#N)N1CCN(CC1)C(=O)C12CC3CC(C1)CC(C3)(C2)c1ccc(C)cc1
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| InChI |
InChI=1S/C27H37N3O/c1-19(2)24(17-28)29-8-10-30(11-9-29)25(31)27-15-21-12-22(16-27)14-26(13-21,18-27)23-6-4-20(3)5-7-23/h4-7,19,21-22,24H,8-16,18H2,1-3H3
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| InChIKey |
KICDUKWOXUHVEO-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