General Information of the Compound
| Compound ID |
CP0491218
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| Compound Name |
US10053462, 4
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| Structure |
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| Formula |
C22H17ClF4N4O
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| Molecular Weight |
464.85
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| Canonical SMILES |
Fc1ccc(cc1)-c1nnc2C3CCCC(Cn12)N3C(=O)c1cccc(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C22H17ClF4N4O/c23-18-15(4-2-5-16(18)22(25,26)27)21(32)31-14-3-1-6-17(31)20-29-28-19(30(20)11-14)12-7-9-13(24)10-8-12/h2,4-5,7-10,14,17H,1,3,6,11H2
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| InChIKey |
NRHCTGLCTSKNEY-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