General Information of the Compound
| Compound ID |
CP0449768
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| Compound Name |
2-[4-[3-(4-methylphenyl)adamantane-1-carbonyl]piperazin-1-yl]-2-phenylacetonitrile
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| Structure |
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| Formula |
C30H35N3O
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| Molecular Weight |
453.63
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| Canonical SMILES |
Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCN(CC1)C(C#N)c1ccccc1)C2
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| InChI |
InChI=1S/C30H35N3O/c1-22-7-9-26(10-8-22)29-16-23-15-24(17-29)19-30(18-23,21-29)28(34)33-13-11-32(12-14-33)27(20-31)25-5-3-2-4-6-25/h2-10,23-24,27H,11-19,21H2,1H3
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| InChIKey |
RWUWGDHNXNAWDO-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