General Information of the Compound
| Compound ID |
CP0420027
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| Compound Name |
US10323032, Example 32
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| Structure |
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| Formula |
C22H17ClF3N3O
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| Molecular Weight |
431.845
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| Canonical SMILES |
Cc1nc2CN(CCc2c(n1)-c1ccccc1)C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C22H17ClF3N3O/c1-13-27-18-12-29(11-10-15(18)20(28-13)14-6-3-2-4-7-14)21(30)16-8-5-9-17(19(16)23)22(24,25)26/h2-9H,10-12H2,1H3
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| InChIKey |
XSYVNAPPMKTXKO-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