General Information of the Compound
| Compound ID |
CP0469293
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| Compound Name |
US10047092, 8
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| Structure |
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| Formula |
C17H13Cl2N5O
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| Molecular Weight |
374.231
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| Canonical SMILES |
Clc1cccc(CN2CCn3c(nnc3-c3ccccn3)C2=O)c1Cl
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| InChI |
InChI=1S/C17H13Cl2N5O/c18-12-5-3-4-11(14(12)19)10-23-8-9-24-15(13-6-1-2-7-20-13)21-22-16(24)17(23)25/h1-7H,8-10H2
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| InChIKey |
UUTDRLSXCYGSLU-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