General Information of the Compound
| Compound ID |
CP0378096
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| Compound Name |
N'-(3,5-dichloropyridin-4-yl)-3,5-dimethyladamantane-1-carbohydrazide
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| Structure |
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| Formula |
C18H23Cl2N3O
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| Molecular Weight |
368.308
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| Canonical SMILES |
CC12CC3CC(C)(C1)CC(C3)(C2)C(=O)NNc1c(Cl)cncc1Cl
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| InChI |
InChI=1S/C18H23Cl2N3O/c1-16-3-11-4-17(2,8-16)10-18(5-11,9-16)15(24)23-22-14-12(19)6-21-7-13(14)20/h6-7,11H,3-5,8-10H2,1-2H3,(H,21,22)(H,23,24)
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| InChIKey |
NOCHVNGRKPLDQR-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