General Information of the Compound
| Compound ID |
CP0112327
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| Compound Name |
(4-pyridin-4-ylmethyl-piperazin-1-yl)-(3-p-tolyl-adamantan-1-yl)-methanone
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| Structure |
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| Formula |
C28H35N3O
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| Molecular Weight |
429.608
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| Canonical SMILES |
Cc1ccc(cc1)C12CC3CC(CC(C3)(C1)C(=O)N1CCN(Cc3ccncc3)CC1)C2
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| InChI |
InChI=1S/C28H35N3O/c1-21-2-4-25(5-3-21)27-15-23-14-24(16-27)18-28(17-23,20-27)26(32)31-12-10-30(11-13-31)19-22-6-8-29-9-7-22/h2-9,23-24H,10-20H2,1H3
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| InChIKey |
TYCQGKHTGPFPMN-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