General Information of the Compound
| Compound ID |
CP0456246
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| Compound Name |
1-[6-(3-ethoxyphenyl)-3-methyl-6-bicyclo[3.1.0]hexanyl]-4-pyridin-4-ylpiperazine
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| Structure |
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| Formula |
C24H31N3O
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| Molecular Weight |
377.532
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| Canonical SMILES |
CCOc1cccc(c1)C1(C2CC(C)CC12)N1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C24H31N3O/c1-3-28-21-6-4-5-19(17-21)24(22-15-18(2)16-23(22)24)27-13-11-26(12-14-27)20-7-9-25-10-8-20/h4-10,17-18,22-23H,3,11-16H2,1-2H3
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| InChIKey |
BMSWYXABHIZRDE-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