General Information of the Compound
| Compound ID |
CP0507334
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| Compound Name |
US10112937, Example 261
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| Structure |
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| Formula |
C19H14Cl2F2N4O
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| Molecular Weight |
423.25
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| Canonical SMILES |
CC1N(CCc2c1ncn2-c1ccc(F)cn1)C(=O)c1ccc(F)c(Cl)c1Cl
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| InChI |
InChI=1S/C19H14Cl2F2N4O/c1-10-18-14(27(9-25-18)15-5-2-11(22)8-24-15)6-7-26(10)19(28)12-3-4-13(23)17(21)16(12)20/h2-5,8-10H,6-7H2,1H3
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| InChIKey |
KHHYHGDDNXIWSH-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