General Information of the Compound
| Compound ID |
CP0455054
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| Compound Name |
N-[1-[(Z)-[(cyanoamino)-(2-methylanilino)methylidene]amino]-2,2-dimethylpropyl]-4-methoxybenzamide
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| Structure |
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| Formula |
C22H27N5O2
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| Molecular Weight |
393.491
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| Canonical SMILES |
COc1ccc(cc1)C(=O)NC(N=C(NC#N)Nc1ccccc1C)C(C)(C)C
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| InChI |
InChI=1S/C22H27N5O2/c1-15-8-6-7-9-18(15)25-21(24-14-23)27-20(22(2,3)4)26-19(28)16-10-12-17(29-5)13-11-16/h6-13,20H,1-5H3,(H,26,28)(H2,24,25,27)
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| InChIKey |
QVACQMHXGNHFIZ-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