General Information of the Compound
| Compound ID |
CP0555505
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| Compound Name |
US10112937, Example 59
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| Structure |
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| Formula |
C17H13F4N5O
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| Molecular Weight |
379.317
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| Canonical SMILES |
Fc1c(cccc1C(F)(F)F)C(=O)N1CCc2c(C1)ncn2-c1ccn[nH]1
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| InChI |
InChI=1S/C17H13F4N5O/c18-15-10(2-1-3-11(15)17(19,20)21)16(27)25-7-5-13-12(8-25)22-9-26(13)14-4-6-23-24-14/h1-4,6,9H,5,7-8H2,(H,23,24)
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| InChIKey |
VELQIHSWORZCES-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