General Information of the Compound
| Compound ID |
CP0863311
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| Compound Name |
US9096596, 104
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| Structure |
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| Formula |
C20H18Cl2FN5O
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| Molecular Weight |
434.302
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| Canonical SMILES |
CCc1nc2c(c(-c3ccn[nH]3)n1)CC(C)N(C(=O)c1ccc(Cl)c(F)c1Cl)C2
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| InChI |
InChI=1S/C20H18Cl2FN5O/c1-3-16-25-15-9-28(20(29)11-4-5-13(21)18(23)17(11)22)10(2)8-12(15)19(26-16)14-6-7-24-27-14/h4-7,10H,3,8-9H2,1-2H3,(H,24,27)
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| InChIKey |
UDMMJVVWBQYUKQ-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