General Information of the Compound
| Compound ID |
CP0859347
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| Compound Name |
8-(2-chlorophenyl)-9-(4-chlorophenyl)-1-(2,2,2-trifluoroethyl)-4,9-dihydro-1H-purin-6(5H)-one
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| Structure |
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| Formula |
C19H13Cl2F3N4O
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| Molecular Weight |
441.24
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| Canonical SMILES |
O=C1C2N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)C2N=CN1CC(F)(F)F
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| InChI |
InChI=1S/C19H13Cl2F3N4O/c20-11-5-7-12(8-6-11)28-16(13-3-1-2-4-14(13)21)26-15-17(28)25-10-27(18(15)29)9-19(22,23)24/h1-8,10,15,17H,9H2
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| InChIKey |
BBUPTNCPDJNCQD-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2