General Information of the Compound
| Compound ID |
CP0475892
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| Compound Name |
N-[1-[[(2-chloroanilino)-(cyanoamino)methylidene]amino]-2,2-dimethylpropyl]-2-(3,4-dimethoxyphenyl)acetamide
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| Structure |
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| Formula |
C23H28ClN5O3
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| Molecular Weight |
457.962
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| Canonical SMILES |
COc1ccc(CC(=O)NC(N=C(NC#N)Nc2ccccc2Cl)C(C)(C)C)cc1OC
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| InChI |
InChI=1S/C23H28ClN5O3/c1-23(2,3)21(29-22(26-14-25)27-17-9-7-6-8-16(17)24)28-20(30)13-15-10-11-18(31-4)19(12-15)32-5/h6-12,21H,13H2,1-5H3,(H,28,30)(H2,26,27,29)
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| InChIKey |
XIENIGYJRXKDDQ-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