General Information of the Compound
| Compound ID |
CP0489783
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| Compound Name |
N'-(2-chloroquinolin-5-yl)adamantane-1-carbohydrazide
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| Structure |
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| Formula |
C20H22ClN3O
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| Molecular Weight |
355.869
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| Canonical SMILES |
Clc1ccc2c(NNC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n1
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| InChI |
InChI=1S/C20H22ClN3O/c21-18-5-4-15-16(22-18)2-1-3-17(15)23-24-19(25)20-9-12-6-13(10-20)8-14(7-12)11-20/h1-5,12-14,23H,6-11H2,(H,24,25)
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| InChIKey |
ROUFTXDQIIVIBB-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