General Information of the Compound
| Compound ID |
CP0467310
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| Compound Name |
N-[1-[(Z)-[(cyanoamino)-(2-methoxyanilino)methylidene]amino]-2,2-dimethylpropyl]-2-(3,4-dimethoxyphenyl)acetamide
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| Structure |
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| Formula |
C24H31N5O4
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| Molecular Weight |
453.543
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| Canonical SMILES |
COc1ccccc1NC(NC#N)=NC(NC(=O)Cc1ccc(OC)c(OC)c1)C(C)(C)C
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| InChI |
InChI=1S/C24H31N5O4/c1-24(2,3)22(28-21(30)14-16-11-12-19(32-5)20(13-16)33-6)29-23(26-15-25)27-17-9-7-8-10-18(17)31-4/h7-13,22H,14H2,1-6H3,(H,28,30)(H2,26,27,29)
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| InChIKey |
XJZOHXVKOWSMNM-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