General Information of the Compound
| Compound ID |
CP0520236
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| Compound Name |
BDBM199009
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| Structure |
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| Formula |
C16H12ClF3N2O2
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| Molecular Weight |
356.731
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| Canonical SMILES |
FC(F)(F)c1cccc(CC(=O)NC2COc3ncccc23)c1Cl
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| InChI |
InChI=1S/C16H12ClF3N2O2/c17-14-9(3-1-5-11(14)16(18,19)20)7-13(23)22-12-8-24-15-10(12)4-2-6-21-15/h1-6,12H,7-8H2,(H,22,23)
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| InChIKey |
NOLLGHUYWWIUQZ-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
Protein ID: PT03475, P2X purinoceptor 7