General Information of the Compound
| Compound ID |
CP0509800
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| Compound Name |
1-(4-fluorophenyl)-N'-quinolin-5-ylcyclohexane-1-carbohydrazide
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| Structure |
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| Formula |
C22H22FN3O
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| Molecular Weight |
363.436
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| Canonical SMILES |
Fc1ccc(cc1)C1(CCCCC1)C(=O)NNc1cccc2ncccc12
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| InChI |
InChI=1S/C22H22FN3O/c23-17-11-9-16(10-12-17)22(13-2-1-3-14-22)21(27)26-25-20-8-4-7-19-18(20)6-5-15-24-19/h4-12,15,25H,1-3,13-14H2,(H,26,27)
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| InChIKey |
IYNRWSDHIBOGTL-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