General Information of the Compound
| Compound ID |
CP0455051
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| Compound Name |
2-(1-adamantyl)-N-(1H-indazol-5-yl)acetamide
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| Structure |
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| Formula |
C19H23N3O
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| Molecular Weight |
309.413
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| Canonical SMILES |
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2[nH]ncc2c1
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| InChI |
InChI=1S/C19H23N3O/c23-18(21-16-1-2-17-15(6-16)11-20-22-17)10-19-7-12-3-13(8-19)5-14(4-12)9-19/h1-2,6,11-14H,3-5,7-10H2,(H,20,22)(H,21,23)
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| InChIKey |
BIGMDHWABCUPQT-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
Protein ID: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7