General Information of the Compound
| Compound ID |
CP0445020
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| Compound Name |
US10112937, Example 130
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| Structure |
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| Formula |
C17H12Cl2FN5O
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| Molecular Weight |
392.221
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| Canonical SMILES |
Fc1ccc(C(=O)N2CCc3c(C2)nnn3-c2ccccn2)c(Cl)c1Cl
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| InChI |
InChI=1S/C17H12Cl2FN5O/c18-15-10(4-5-11(20)16(15)19)17(26)24-8-6-13-12(9-24)22-23-25(13)14-3-1-2-7-21-14/h1-5,7H,6,8-9H2
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| InChIKey |
GLVAEEYYPXFCQT-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