General Information of the Compound
| Compound ID |
CP0509799
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| Compound Name |
2-(1-adamantyl)-N'-quinolin-5-ylacetohydrazide
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| Structure |
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| Formula |
C21H25N3O
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| Molecular Weight |
335.451
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| Canonical SMILES |
O=C(CC12CC3CC(CC(C3)C1)C2)NNc1cccc2ncccc12
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| InChI |
InChI=1S/C21H25N3O/c25-20(13-21-10-14-7-15(11-21)9-16(8-14)12-21)24-23-19-5-1-4-18-17(19)3-2-6-22-18/h1-6,14-16,23H,7-13H2,(H,24,25)
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| InChIKey |
QTVKEAVSBKUYCG-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