General Information of the Compound
| Compound ID |
CP0516604
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| Compound Name |
N-(1-adamantyl)-4-butyl-7-hydroxy-1-methyl-5-oxo-3a,7a-dihydropyrazolo[4,3-b]pyridine-6-carboxamide
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| Structure |
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| Formula |
C22H32N4O3
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| Molecular Weight |
400.523
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| Canonical SMILES |
CCCCN1C2C=NN(C)C2C(O)=C(C(=O)NC23CC4CC(CC(C4)C2)C3)C1=O
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| InChI |
InChI=1S/C22H32N4O3/c1-3-4-5-26-16-12-23-25(2)18(16)19(27)17(21(26)29)20(28)24-22-9-13-6-14(10-22)8-15(7-13)11-22/h12-16,18,27H,3-11H2,1-2H3,(H,24,28)
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| InChIKey |
HZHPBBMMMLWAJY-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