General Information of the Compound
| Compound ID |
CP0880787
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| Compound Name |
N-(Adamantan-1-yl)-1-pentyl-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
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| Structure |
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| Formula |
C23H31N3O
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| Molecular Weight |
365.521
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| Canonical SMILES |
CCCCCn1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc2cccnc21
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| InChI |
InChI=1S/C23H31N3O/c1-2-3-4-8-26-20(12-19-6-5-7-24-21(19)26)22(27)25-23-13-16-9-17(14-23)11-18(10-16)15-23/h5-7,12,16-18H,2-4,8-11,13-15H2,1H3,(H,25,27)
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| InChIKey |
SAFZAUGCOLHROE-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