General Information of the Compound
| Compound ID |
CP0467315
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| Compound Name |
N-[1-[(Z)-[(cyanoamino)-[(2,6-dimethoxypyridin-3-yl)amino]methylidene]amino]-2,2-dimethylpropyl]-2-(3,4-dimethoxyphenyl)acetamide
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| Structure |
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| Formula |
C24H32N6O5
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| Molecular Weight |
484.557
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| Canonical SMILES |
COc1ccc(NC(NC#N)=NC(NC(=O)Cc2ccc(OC)c(OC)c2)C(C)(C)C)c(OC)n1
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| InChI |
InChI=1S/C24H32N6O5/c1-24(2,3)22(28-19(31)13-15-8-10-17(32-4)18(12-15)33-5)30-23(26-14-25)27-16-9-11-20(34-6)29-21(16)35-7/h8-12,22H,13H2,1-7H3,(H,28,31)(H2,26,27,30)
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| InChIKey |
BRQNQXWNCOAPRB-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