General Information of the Compound
| Compound ID |
CP0077971
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| Compound Name |
[4-[phenyl-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]methyl]phenyl]-pyrrolidin-1-ylmethanone
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| Structure |
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| Formula |
C33H36N2O
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| Molecular Weight |
476.664
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| Canonical SMILES |
O=C(N1CCCC1)c1ccc(cc1)C(=C1CC2CCC(C1)N2CCc1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C33H36N2O/c36-33(34-20-7-8-21-34)28-15-13-27(14-16-28)32(26-11-5-2-6-12-26)29-23-30-17-18-31(24-29)35(30)22-19-25-9-3-1-4-10-25/h1-6,9-16,30-31H,7-8,17-24H2
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| InChIKey |
BWKJDYXJOPQVRB-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