General Information of the Compound
| Compound ID |
CP0498129
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| Compound Name |
Adamantane-1-carboxylic acid (pyridin-3-ylmethyl)-amide
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| Structure |
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| Formula |
C17H22N2O
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| Molecular Weight |
270.376
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| Canonical SMILES |
O=C(NCc1cccnc1)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C17H22N2O/c20-16(19-11-12-2-1-3-18-10-12)17-7-13-4-14(8-17)6-15(5-13)9-17/h1-3,10,13-15H,4-9,11H2,(H,19,20)
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| InChIKey |
SIOCWTZRIYXTEE-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