General Information of the Compound
| Compound ID |
CP0425398
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| Compound Name |
US10047092, 5
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| Structure |
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| Formula |
C16H12Cl2N6O
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| Molecular Weight |
375.219
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| Canonical SMILES |
Clc1cccc(Cl)c1CN1CCn2c(nnc2-c2cnccn2)C1=O
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| InChI |
InChI=1S/C16H12Cl2N6O/c17-11-2-1-3-12(18)10(11)9-23-6-7-24-14(13-8-19-4-5-20-13)21-22-15(24)16(23)25/h1-5,8H,6-7,9H2
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| InChIKey |
PTHDSEUXLRBZLT-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: PT01449, P2X purinoceptor 7
Protein ID: PT03917, P2X purinoceptor 7