General Information of the Compound
| Compound ID |
CP0524290
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| Compound Name |
US10047092, 42
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| Structure |
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| Formula |
C18H13BrClF3N6O
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| Molecular Weight |
501.694
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| Canonical SMILES |
C[C@H]1Cn2c(nnc2-c2ncc(Br)cn2)C(=O)N1Cc1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C18H13BrClF3N6O/c1-9-7-29-15(14-24-5-11(19)6-25-14)26-27-16(29)17(30)28(9)8-10-3-2-4-12(13(10)20)18(21,22)23/h2-6,9H,7-8H2,1H3/t9-/m0/s1
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| InChIKey |
RAGJWLIAMKCIPZ-VIFPVBQESA-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