General Information of the Compound
| Compound ID |
CP0397810
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| Compound Name |
4-[3-[4-(dibenzylamino)phenyl]-1-adamantyl]benzonitrile
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| Structure |
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| Formula |
C37H36N2
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| Molecular Weight |
508.709
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| Canonical SMILES |
N#Cc1ccc(cc1)C12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C37H36N2/c38-24-28-11-13-33(14-12-28)36-20-31-19-32(21-36)23-37(22-31,27-36)34-15-17-35(18-16-34)39(25-29-7-3-1-4-8-29)26-30-9-5-2-6-10-30/h1-18,31-32H,19-23,25-27H2
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| InChIKey |
YXYZUSSQQRLDOP-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