General Information of the Compound
| Compound ID |
CP0445445
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| Compound Name |
N-[1-[(Z)-[(cyanoamino)-(2-methylanilino)methylidene]amino]-2,2-dimethylpropyl]hexanamide
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| Structure |
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| Formula |
C20H31N5O
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| Molecular Weight |
357.502
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| Canonical SMILES |
CCCCCC(=O)NC(N=C(NC#N)Nc1ccccc1C)C(C)(C)C
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| InChI |
InChI=1S/C20H31N5O/c1-6-7-8-13-17(26)24-18(20(3,4)5)25-19(22-14-21)23-16-12-10-9-11-15(16)2/h9-12,18H,6-8,13H2,1-5H3,(H,24,26)(H2,22,23,25)
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| InChIKey |
GHGVLTXNZDEUBL-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: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7