General Information of the Compound
| Compound ID |
CP0510504
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| Compound Name |
N-[2,2-dichloro-1-[(Z)-[(cyanoamino)-[(2-methoxypyridin-3-yl)amino]methylidene]amino]propyl]-3,5-dimethoxybenzamide
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| Structure |
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| Formula |
C20H22Cl2N6O4
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| Molecular Weight |
481.34
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| Canonical SMILES |
COc1cc(OC)cc(c1)C(=O)NC(NC(Nc1cccnc1OC)=NC#N)C(C)(Cl)Cl
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| InChI |
InChI=1S/C20H22Cl2N6O4/c1-20(21,22)18(27-16(29)12-8-13(30-2)10-14(9-12)31-3)28-19(25-11-23)26-15-6-5-7-24-17(15)32-4/h5-10,18H,1-4H3,(H,27,29)(H2,25,26,28)
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| InChIKey |
WMOGCVKVEBMEHK-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