General Information of the Compound
| Compound ID |
CP0093666
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| Compound Name |
N-(1-adamantyl)-6-methyl-4-oxo-1-pentyl-5-pyridin-4-ylpyridine-3-carboxamide
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| Structure |
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| Formula |
C27H35N3O2
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| Molecular Weight |
433.596
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| Canonical SMILES |
CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(=O)c(-c2ccncc2)c1C
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| InChI |
InChI=1S/C27H35N3O2/c1-3-4-5-10-30-17-23(25(31)24(18(30)2)22-6-8-28-9-7-22)26(32)29-27-14-19-11-20(15-27)13-21(12-19)16-27/h6-9,17,19-21H,3-5,10-16H2,1-2H3,(H,29,32)
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| InChIKey |
ARGUCAOPWRLIDM-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