General Information of the Compound
| Compound ID |
CP0385544
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| Compound Name |
US10323032, Example 124
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| Structure |
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| Formula |
C22H20ClF4N5O
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| Molecular Weight |
481.881
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| Canonical SMILES |
C[C@@H]1Cc2c(CN1C(=O)c1cccc(c1Cl)C(F)(F)F)nc(C)nc2-c1ccn(CCF)n1
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| InChI |
InChI=1S/C22H20ClF4N5O/c1-12-10-15-18(28-13(2)29-20(15)17-6-8-31(30-17)9-7-24)11-32(12)21(33)14-4-3-5-16(19(14)23)22(25,26)27/h3-6,8,12H,7,9-11H2,1-2H3/t12-/m1/s1
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| InChIKey |
RDGSMEFGUONJIR-GFCCVEGCSA-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: PT03917, P2X purinoceptor 7
Protein ID: PT01449, P2X purinoceptor 7